Journal of Molecular Structure
Vol. 476, Nos. 1-3, Feb.(1999)

Reversible helix-helix transition of poly (beta-phenylbutyl L-aspartate) and poly(beta-phenylpentyl L-aspar-
tate), involving a screw-sense inversion in the solid state

K. Sakajiri, K. Satoh, S. Kawauchi and J. Watanabe (Tokyo, Japan) ....................................................... 1
Infrared studies of the tt.a-dicyclohexyl-cyclohexane-methanol single crystal [(C6H11)3COH]

Z. Mieike, Z. Malarski, R. Szostak and H.R. Zeismann (Wroctaw, Poland and Grenoble, France) .................9
Theoretical study of the vibrational spectra of 2-chloropyridine metal complexes II. Calculation and
analysis of the IR spectra of Cd- and Ni- 2-Chloropyridine complexes

M. Bakiler, S. Akyuz and 1.V. Maslov (Istanbul, Turkey and Moscow, Russia) ....................................... 21
Correlations between ab initio and experimental data for isolated 1:1 hydrogen-bonded complexes of
pyridine and imidazole derivatives with water

J. Smets, W. McCarthy, L. Adamowicz and G. Maes (Tucson, USA and Heverlee, Belgium) .................. 27
IR-Raman, NMR and density functional methods in the examination oftautomerism and features of N-
methyl substituted 9-acridinamine derivatives

J. Rak, K. Krzyminski, P. Skurski, L. Jozwiak and J. Blazejowski (Gdansk, Poland) ............................. 45
Abnormal distribution of protons and deuterons between the hydrogen bonds in cyclic centrosym-
metric dinners in partially deuterated samples

H.T. Flakus and A. Banczyk (Katowice, Poland)................................................................................. 57
A cyclic cation-bonded system with large cation polarizabilities due to collective cation motion in salts
of bis[3,3'-(2,2'-dihydroxybiphenyl)]methane

B. Brzezinski, B. Swoboda and G. Zundel (Poznan, Poland and Munich, Germany) ............................. 69
Conformational studies by 1 H - NMR in a nematic solvent: methyl isonicotinate, methyl nicotinate and
methyl picolinate

H. Kiyono, K. Inoue, H. Takeuchi and S. Konaka (Sapporo, Japan) ................................................. 73
Crystal structure and molecular motion in pyridine N-oxide semiperchlorate
J. Wasicki, M. Jaskolski, Z. Pajgk, M. Szafran, Z. Dega-Szafran, M.A. Adams and

S.F. Parker (Poznan, Poland and Chilton, UK) ................................................................................. 81
Conformations of triethyl phosphate: a supersonic jet-matrix isolation and semi-empirical (AMI) study

V. Vidya, K. Sankaran, K. Sundararajan and K.S. Viswanathan (Kalpakkarn, India) ....................... 97
A density functional theory study on the reactivity of monosubstituted cycloimmonium ylidesi

Y. Karzazi, G. Vergoten and G. Surpateanu (Villeneuve d'Ascq and Dunkerque, France) ................. 105
A comparative molecular field analysis of the structure of cycloimmonium ylides. A derived synthesis
methodology for planar and non-planar cycloimmonium ylides

Y. Karzazi, G. Vergoten and G. Surpateanu (Villeneuve d'Ascq and Dunkirk, France) ...................... 121
Hydrogen-bond and solvent polarity eects on the nitrogen NMR shielding of urea systems

M. Witanowski, W. Sicinska, Z. Biedrzycka and G.A. Webb (Warsaw, Poland and Guildford, UK) 133
Vibrational spectra of methylpyridines

J.F. Arenas, 1. Lopez Tocon, J.C. Otero and J.I. Marcos (Malaga, Spain) ...................................... 139
Ab initio molecular orbital study of the conformation of amide group: o-methylformanilide

S. Ilieva, B. Hadjieva and B. Galabov (Sofia, Bulgaria) .................................................................... 151
Hypervalent S-CI bond in cyclic acylaminochloro lambdal 4 sulfanes: a comparison of N-S-CI, N-S+CIO4-
and

N-S+.... 0=C bond systems

D. Szabo, 1. Kapovits, A. Kucsman, P. Nagy, G. Argay and A. Kalman (Budapest, Hungary). ........ 157
Kinetics and mechanism of the dehydrohalogenation of Ar2CHCX3 and Ar2CHCHX2 by strong N-bases

G. Schroeder, B. Leska, B. Gierczyk, B. Rozalski and B. Brzezinski (Poznan, Poland). .................... 173
Internal rotation dynamics of nitromethane at low temperatures

V.M. Grosev, F. Stelzer and D. Jocham (Zagreb, Croatia and Graz, Austria) ................................... 181
Structure of the t-butyl A/-(4-chlorophenyl)thiooxamate and related complexes with heavy metals

Calculation of the IR spectra of toluene-2,4-bis (methyl) carbamate
V,L. Purer (Kazan, Russia) .................................................................................................................. 215

Excited state intramolecular proton transfer in 2-(2'-/V-palmitovl-arninophenyl)benzimidazole: effect of
carbonyl group
S. Santra and S.K. Dogra (Kanpur, India) .......................................................................................... 223

IR-LD-spectral study on the self-association effects of 2-aminopyridine
M. Arnaudov and Sh. Dinkov (Sofia, Bulgaria) .................................................................................... 235

The crystal structure, vibrational spectra and DSC measurement of mono-L-alaninium nitrate
1. Nemec, 1. Cisarova and Z. Micka (Prague, Czech Republic) ........................................................... 243

Conformational study of oxacyclononan-2-one by dynamic NMR spectroscopy and molecular mechanics
calculations
D.M. Pawar, S.V. Smith and E.A. Noe (Jackson, USA)..................................................................... 255

The SPASIBA force field of aldehydes. Part 1: Structure and vibrational wavenumbers of methanal, ethanal
and propanat

A. Zanoun, V. Durier, G. Vergoten and A. Belaidi (Es-Senia and d'Oran, Algeria and Villeneuve d'Ascq.
France) ............................................................................................................................................. 261

The SPAS/BA force field of aldehydes. Part II: structure and vibrational wavenumbers of ethandial, propenal
and 2-methylpropenal
V, Durier, A. Zanoun, G. Vergoten and A. Belaidi (Villeneuve d'Ascq, France and d'Oran, Algeria)..... 271

Infrared matrix isolation study of the (CH3)3In.NH3 complex in inert matrices
E.A. Piocos and B.S. Ault (Cincinnati, USA) ..................................................................................... 283

Solid state and solution structure of a commonly used peptide coupling additive
F. Hoffmann, C. Griehl and A. Kolbe (Kothen and Halle, Germany) .................................................. 289

Far-infrared spectra of some crystalline aromatic urethanes
1.A. Zavodov, L.I. Maklakov and E.G. Atovmyan (Kazan and Chernogolovka, Russia) ................... 295

Erratum ............................................................................................................................................. 301
Author Index...................................................................................................................................... 303
Subject Index .................................................................................................................................... 305

Journal of Molecular Structure
VOL.478, NO.1-3, MAR.1999

Molecular interactions of 4-n-alkyl-4'-cyanobiphenyl detected in vibronic and vibrational spectra
J. 1. Kukielski (Gdansk, Poland) ................................................................................................................... 1

An evaluation of the use of a commercial scanner to obtain experimental data produced by gas-phase electron
diffraction and recorded on photographic plates
K. Aarset (Reading, UK), K. Hagen (Trondheim, Norway), E. M. Page and D. A. Rice (Reading, UK)........... 9

Structural and conformational study of methyl 3-chlorobenzoate by gas phase electron diffraction combined
with ab initio calculations
H. Takashima, K. Endo, M. lto, H. Takeuchi, T. Egawa and S. Konaka (Sapporo, Japan) ............................ 13

Structural study of compartmental complexes of europium and copper
Z. Zude, Z. Xiong, Z. Tao, Y. Huaming and L. Qingliang (Anhui, People's Republic of China) ....................... 23

Electron paramagnetic resonance study of X-irradiated tri-coordinated copper(l) complexes
S. Ramaprabhu (Chennai, India) .................................................................................................................. 29

The rotational spectrum, structure and barrier Vg to internal rotation of/3-fluorotoluene
J. Rottstegge, H. Hartwig and H. Dreizier (Kiel, Germany) ........................................................................... 37

Conformational analysis of N-methylpiperidine betaine studied by X-ray diffraction, FTIR spectroscopy and
ab initio calculations
Z. Dega-Szafran, Z. Kosturkiewicz, E. Dulewicz and M. Szafran (Poznan, Poland) ...................................... 49

Conformational stability, vibrational assignments, and normal coordinate analysis from variable temperature
FT-IR spectra of xenon solutions and ab initio calculations of epibromohydrin
J. R. Durig. S. W. Hur and T. K. Gounev (Kansas City, USA) .................................................................... 57

Synthesis and crystal structure ofAdelta6-4-methyl-5,6-diphenyl-5-hydroxy-1,2,4-triazacyclohexene-3-thione,
a 1-dimensional supramolecule
A. Castineiras, E. Bermejo and D. X. West (Santiago de Compostela, Spain) ................................................. 73

Astructural study of pyrazole-1 -carboxamides by X-ray crystallography and ^C CPMAS NMR spectroscopy
A. L. Llamas-Saiz, C. Foces-Foces, 1. Sobrados, N. Jagerovic and J. Elguero (Madrid, Spain) ........................ 81

The interaction between polyvinylpyrrolidone and 12 as probed by Raman spectroscopy
D. L. A. de Faria, H. A. C. Gil (Sao Paulo, Brazil) and A. A. A. de Queiroz (MG, Brazil) ............. ................... 93

Molecular structure of the novel 3-coordinated Hg(ll) complex,
aqua-bis(3,3-Dimethyiglutarimidato) mercury (II)
B. Morzyk (Czestochowa, Poland), D. Michalska, W. Wojciechowski and T. Gtowiak (Wroclaw, Poland) .......... 99

Coherent anti-Stokes vibrational Raman spectra of artificial rhodopsin pigments containing ring structures
blocking 1 1 -cfs isomerization
Y. Zhou , L. Ujj (Tucson, USA). J. Lou (New York, USA), F. Jager (Tucson, USA), K. Nakanishi (New
York, USA) and G. H. Atkinson (Tucson, USA) ............................................................................................... 107

Conformations of solid 2-methyl-4-(P-X-pheny[azo)imidazoles by 13C CP MAS NMR spectroscopy and
PM3 semi-empirical calculations
D. Maciejewska (Warsaw, Poland). ...................................................... ............................................................ 121

Amantadine-DNA interaction as studied by classical and resonance Raman spectroscopy
J. Stanicova, G. Fabriciova (Kosice, Slovak Republic). L. Chinsky (Paris. France), V. Sutiak and
P. Miskovsky (Kosice, Slovak Republic) .......................................................................................................... 129

Synthesis and structure of a Zwitterionic Nd complex containing aminophenoxide ligands
P. Wei and D. A. Atwood (Lexington, USA) ................................................................................................... 139

Hydrogen bonding. Part 69. Inter- and intramolecular hydrogen bonding effects on the structure, solubility,
and reactivity of 4,5-dicarboxyimidazoles............................................................................................................. 145

K. M. Harmon, S. H. Gill (Rochester, USA), P. G. Rasmussen (Ann Arbor, USA) and
G. L. Hardarove Jr. (Northfield. USA)..................................................................................................................155

Steric influences on the stability and synthetic accessibility of tetraalkylcyclopentadienes
J. S. Overby, E. D. Brady, S. C. Slate and T. P. Hanusa (Nashville, USA) ........................................................ 163

Spectral characteristics of the monocations of 2-(2'-aminophenyl)benzimidazole in different solvents
S. Santra and S. K. Dogra (Kanpur, India) ........................................................... ............................................ 169

Hydrolysis of haemoglobin surveyed by infrared spectroscopy: 1. solvent effect on the secondary structure of
haemoglobin
C. Ruckebusch, N. Nedjar-Arroume, S. Magazzeni, J.-P. Huvenne and P. Legrand
(Villeneuve d'Ascq, France) .............................................................................................................................. 185

Gas-phase infrared spectrum of phosphorus (III) oxycyanide, OPCN: experimental and theoretical
investigations
A. W. Allaf, M. Kassern, M. Alibrahim (Damascus, Syria) and 1. Boustani (Wuppertal, Germany).............. ...... 193

Prototropic equilibrium of 2-aminofluorene in non-ionic micelles: Tweens
S. K. Saha, S. Santra and S. K. Dogra (Kanpur, India)....................................................................................... 199

Contribution of a local electric dipole moment to the hydrophilic nature of
[Ru(phen)2(1,5,6,10-tetraazaphenanthrene)]^ complex in aqueous solutions
T. Nagai (Kawasaki, Japan), H. Tomizawa (Tokyo, Japan), K. Sugahara, Y. Takeda and K. Ishida
(Kawasaki, Japan) ............................................................................................................................................. 211

Structural and spectral studies of N-(2-pyridyl)-N'-tolylthioureas
J. Valdes-Martinez, S. Hernandez-Ortega (Coyoacan, Mexico), D. X. West, L. J. Ackerman,
J. K. Swearingen and A. K. Hermetet (Normal, USA) ....................................................................................... 219

High-field multinuclear magnetic resonance studies of molecular motions in the liquid and solid phases of
3-chloropivalic acid
D. W. Aksnes (Bergen, Norway) and L. Kirntys (Vilnius, Lithuania) ................................................................. 227

Synthesis, characterization, peripheral studies and structural analysis of tri(p-anisyl) setenonium
trifluoroacetate
D. F. Mullica (Waco, USA), F. S. Guziec Jr, L. J. Guziec, J. R. Grant, J. A. Kautz (Georgetown, USA) and
J. M. Farmer (Waco, USA) ............................................................................................................................... 235

Reaction of fluoronitrobenzenes with tetramethylguanidine in acetonitrile
G. Schroeder, K. Eitner, B. Gierczyk, B. Rozalski and B. Brzezinski (Poznan, Poland) ......................................... 243

Proton transfer reaction from some C-H acids to N-bases in polar aprotic solvents
G. Schroeder, B. Leska (Poznan, Poland), F. Barti (Berlin, Germany) and B. Rozalski (Poznan,
Poland)................................................................................................................................................................ 255

Hydrogen bonded Schiff bases; di-anil of 2-hydroxy-5-methYl-isophthaldehyde
K. Wozniak, W. Kolodziejski, R. Anulewicz, D. Pawlak, K. Jackowski (Warsaw, Poland), T. Dziembowska
and Z. Rozwadowski (Szczecin, Poland) ............................................................................................................. 267

Effect of hydrogen bond in hexamethylenetetramine-MOH (M=Li, Na, K) complexes
H. J. Kirn, S.-H. Park, T. S. Chair and S. H. Choh (Seoul, South Korea) ............................................................ 275

Aromatic propellenes. Part 10. Conformational study of hexa(imidazol-1 -yl)benzene and
hexakis(2-methylimidazol-1 -vDbenzene by means of NMR and AMI calculations
M 0 Santa Maria P Cornago, R. M. Claramunt, J. Elguero, C. Fernandez-Castano and C. Foces-Foces
(Madiid, Spain)............................................................................................................................... .................... 285

Interactions of egg yolk phosphatidylcholine with cholesteryl polyetboxy neoglycolipids containing
N-acetyl-D-glucosamine
R. Kemoun, M. Gelhausen. F. Besson, D. Lafont, R. Buchet, P. Boullanger and B. Roux

(Villeurbanne, France) ......................................................................................................................................... 295
Author Index.......................................................................................................................................................... 303
Subject Index ........................................................................................................................................................ 305
Volume Contents.................................................................................................................................................... 311

{Abstracted) Indexed in: ChemicaIAbstracts, Current Contents: Physical, Chemical and Earth Sciences,
Mass Spectrom. Bull., PASCAL/CNRS)

(For contents, see pages 311-312)

Journal of MOLECULAR STRUCTURE
vol:484, no:1-3, june 1999

Volume contents

(Abstracted/Indexed in: Chemical Abstracts, Current Contents: Physical, Chemical and Earth Sciences,
Mass Spectrom. Bull., PASCAl/CNRS

Molecular structure of niobium tetra- and oxytrihalides
N.I. Giricheva and G.V. Girichev (Ivanovo, Russia) ....................................... I

Molecular structure and interaction in cholesteryl 4-n-alkoxybenzoates
A.A. Yakubov (Samarkand, Republic of Uzbekistan) ...................................... 11

Combined matrix isolation IR spectroscopic and ab initio quantum chemical study of the molecular
structure of aminomethylphosphinic acid ,
S.G. Stepanian, 1.D. Reva, E.D. Radchenko (Kharkov, Ukraine), Z. Latajka, M. Wierzejewska and
H. Ratajczak (Wroclaw, Poland) ........................................'.............. 19

Structural peculiarities of 6-azacytosine and its derivatives imply intramolecular H-bonds
S.P. SamiJ'lenko, I.V. Alexeeva, L.H. Palchykivs'ka, 1.V. Kondratyuk, A.V. Stepanyugin, A.S. Shalamay
and D.M. Hovorun (Kyiv, Ukraine) .................................................... 31

Ab initio study of the barrier to internal rotation in simple amides 1. /V,/V-dimethylformamide and
N, N-dimethylcarbam ic
N.G. Vassilev and V.S. Dimitrov (Sofia, Bulgaria) ........................................ 39

X-ray, FTIR and ab initio HF studies of OHO hydrogen bond in 4-dimethylamino-2,6-dimethylpyridine
N-oxide 4-toluenesulphonate. Proton transfer in O-H-O complexes and correlation between the
0---0, C-O and N-O distances and deltapka
Z. Dega-Szafran, A. Katrusiak, M. Szafran and E. Tykarska (Poznan, Poland) .................. 49

Resonance Raman spectra and structure of meso-monosubstituted metalloporphyrins
S.N. Terekhov and A.M. Shulga (Belarus, Russia). ....................................... 63

Strengthening of the intramolecular 0....H....N hydrogen bonds in Schiff bases as a result of steric
repulsion
A. Filarowski (Wroclaw, Poland), T. Glowiaka and A. Koll (Tyumen, Russia). .................. 75

Hydrogen-bonded complexes resulting from the interaction of alkylated barbituric acid and
2,6-diamidopyridine derivatives
Z. Sideratou, D. Tsiourvas, C.M. Paleos (Attikis, Greece), E. Peppas, J. Anastassopoulou and
T. Theophanides (Zografou, Greece) .................................................. 91

Infrared spectra of the hydrogen bonded glutaric acid crystals: polarization and temperature effects
H.T. Flakus and A. Miros (Katowice, Poland) ........................................... 103

Comparison of low-barrier hydrogen bonds in acid salts of carboxylic acids and basic salts of betaines -
FTIR study
P. Barczynski, 1. Kowaiczyk, M. Grundwald-Wyspianska and M. Szafran (Poznan, Poland). ....... 117

Conformational analysis of 5-piperidinevaleric acid, 5-(N-methylpiperidine)valerate and their hydrogen
halides by MO calculations. X-ray diffraction and FTIR spectroscopy
M. Szafran, Z. Dega-Szafran, E. Dulewicz, Z. Kosturkiewicz, M. Nowakowska, W. Orwat and
M. RataJczak-Sitarz (Poznan, Poland) .................................................. 125

Hydrothermal synthesis and structural characterization of a mixed-valence molybdenum (IV,VI)
arsenate (III): Ni(H2NCH2CH2NH2)3[(Moiv06)Mo6vi018(As3iii03)2]H20
Q. He, E. Wang, C. Hu, L Xu, Y. Xing, Y. Lin and H. Jia (Changchun Jilin, Peoples Republic of China). . 139

Modeling of some structural and vibrational properties of CO : CO2 complexes in gas phase and
embedded in solid argon
J. Langlet, J. Caillet, M. Allavena, V. Raducu, B. Gauthier-Roy, R. Dahoo and
L. Abouaf-Marguin (Paris, France) .................................................... 145

X-ray crystal structure analysis and atomic charges of color former and developer: 4 colored formers
K. Okada (Yokohama, Japan) and S. Okada (Tokyo, Japan) ................................ 161

A molecular orbital study on the conformational properties of dopamine l1,2-benzenediol-4(2-
aminoethyl)] and dopamine cation
R. Fausto, M.J.S. Ribeiro and J.J.P. de Lima (Coimbra, Portugal) ........................... 181

The search for proton mobility in solid pyrazoles: molecular and crystal structure of 3(5)-phenyl-4-
bromo-5(3)-methylpyrazole
A.L. Uamas-Saiz, C. Foces-Foces, C. Fontenas, N. Jagerovic and J. Elguero (Madrid, Spain). ... .. 197

Infrared studies of the nitrous acid complexes with Xe and N2 in argon, krypton and xenon matrices
Z. Mieike. T. Talik (Wroclaw, Poland) and K.G. Tokhadze (St. Petersburg, Russia) .............. 207

Density functional theory and ab-initio computational study of the 2-hydroxypvridine/2-pyridone
system: a comparison with FT-IR data from matrix isolation experiments
A. Dkhissi, L. Houben, J. Smets (Heverlee, Belgium), L. Adamowicz (Tucson, USA) and G. Macs
(Heverlee, Belgium) ............................................................... 215

Conformation and structure of 3-methoxyphenyl-salicylaldimine
A. Elmali, M. Kabak and Y. Elerman (Ankara, Turkey). .................................... 229

Luminescence properties and spatial arrangement of lignin model molecules in the solid II. Crystal
structures of 2,2'-dibenzyloxy-5,5'-di (I-hydroxyethyD-3,3'-dimethoxybiphenyl and 2,2'-
dibenzyloxy-5,5'-dihYdroxymethyl-3,3'-dimethoxybiphenyl and their fluorescence emission
S.G. Ruggiero (Uberlandia, Brazil), A. Castellan, S. Grelier, A. Nourmamode and M. Cotrait (Talence,
France) ......................................................................... 235

Gas phase structures of N-(fluorosulfonyl)imidosulfurous difluoride, FSO2N=SF2, and
N-(fluorosulfonyl)imidosulfuryl fluoride, FS02N==S(0)F2
R. Haist (Tubingen, Germany), R.S.M. Alvarez, E.H. Cutin (Tucuman, Argentina), C.O. Delia Vedova
(La Plata, Argentina) and H. Oberhammer (TObingen, Germany). ........................... 249

Author Index........................................................................ 259
Subject Index ....................................................................... 261
Volume Contents .................................................................... 265

Journal of MOLECULAR STRUCTURE
VOL. 474, NO. 1, 1999

Preface 1

Introduction: Organic crystal chemistry X 3

1. Prediction and modelling of molecular structures
Quantum crystallography
L. Huang, L Massa and J. Karle (Washington, DC and New York, N.Y., USA) .................... 9

Prediction of crystal structures of organic molecules
D.W.M. Hofmann and T. Lengauer (Sankt Augustin, Germany) ................................ 13

Modes of dimerization of the a-hydroxyamide group
A. Szarecka, U. Rychlewska and J. Rychlewski (Poznan, Poland) .............................. 25

A comparison of sublimation enthalpies with lattice energies calculated using force fields
J.C. Osborn and P. York (Bradford, UK).................................................. 43

Modelling the influence of nonbonded interactions on the electronic structure ofdimethylaminobenzonitrile
S.V. Konovalikhin and L.O. Atovmyan (Chernogolovka, Russia). ............................... 49

Conformation and packing of poly(alkylene phosphate) chains in the crystal lattice. Part 1: molecular
modelling and wide-angle X-ray scattering
R. Kwiatkowski and A. Wtochowicz (todz, Poland) ......................................... 55


2. Hydrogen bonding, molecular interactions, and crystal engineering
Axial and equatorial conformations of penicillins, their sulphoxides and sulphones: the role of N-H...S and
C-H- o -0 hydrogen bonds
A. Nangia and G.R. Desiraju (Hyderabad, India) ............................................ 65


Stacking of six-membered aromatic rings in crystals
M.L. Gtöwka, D. Martynowski and K. Koztowska (Lodz, Poland) ............................... 81


Pitfalls in the supramolecular assembly ofsilver(l) coordination compounds
C.B. Aakeroy and A.M. Beatty (Manhattan, KS, USA) ....................................... 91


Hydrogen bonds in molecular assemblies of natural, synthetic and 'designer' peptides
I.L Karle (Washington. DC. USA) ....................................................... 103


The fungicidal activity of beta -keto sulfones. Molecular conformation of alfa alfa -phenylhydrazono beta -ketosulfones as
determined by an X-ray analysis
W.M. Wolf (Lodz, Poland) ............................................................. 113


Stereochemistry and transformations of NH...N hydrogen bonds Part 1. Structural preferences for the
hydrogen site
A. Katrusiak (Poznan, Poland) .......................................................... 125


Stereochemistry and transformations of NH...N hydrogen bonds Part U. Proton stability in the monosalts of
1,4-diazabicyclo[2.2.2]octane
A. Katrusiak, M. Ratajczak-Sitarz and E. Grech (Poznan and Szczecin, Poland) ................... 135


Crystal and molecular structure of potassium, ammonium and dicyclohexylammonium salts of (2-oxopropyl)
phosphonic acid in monoionized state
J. Mazurek and T. Lis (Wroctaw, Poland) ................................................. 143


Structural characterization of polymorphs and molecular complexes of finasteride
I. Wawrzycka, K. Stepniak, S. MatyJaszczyk, A.E. Koziol, T. Lis and K.A. Abboud (Lublin and Wroclaw,
Poland; Gainesville, Florida, USA) ....................................................... 157


3. Spectroscopy and crystal structure
Infrared spectra and structure of hydrogen bonds in N -substituted isonicotinic hydrazides formed by
crystallization from solution and via solid phase transformations
Y.G. Atovmyan, L.A. Nikonova, I.I. Chuev, A.N. Utenyshev, M.Z. Aldoshina and S.M. Aldoshin
(Chernogolovka, Russia) .............................................................. 167


Crystal chemical and IR spectroscopic studies of intermolecular interactions in potentially prototropic organic
crystals of N-substituted benz(sonicotine) hydrazides
I.I. Chuev, E.G. Atovmyan and S.M. Aldoshin (Chernogolovka, Russia). ......................... 177

Theoretical study of the influence of structure on the vibrational spectra of crystalline nitrates of substituted
glucopyranosides
M.V. Korolevich and R.G. Zhbankov (Minsk, Belarus) ....................................... 187

Solution and solid-state studies on the molecular conformation of mono- and disubstituted pyridine
amidoesters: the role of characteristic C-H. . .0 and N-H. . .0 interactions
R. Ostaszewski and Z. Urbanczyk-Lipkowska (Warsaw, Poland) ............................... 197

Synthesis and structure of (+)-2-thionosparteine, a new thioanalogue of lupanine
W. Wysocka, R. Kolano, T. Borowiak and A. Korzanski (Poznan, Poland) ........................ 207

Geometry of tricyclic quinolizidine-piperidine alkaloids in solution by NMR spectroscopy
T. Brukwicki and W. Wysocka (Poznan, Poland)............................................ 215

4. Intriguing crystal-structure determinations

Dimethyl acetamide inclusion compounds with multipedal hosts
S.A. Bourne, K.L Gifford Nash and F. Toda (Cape Town, South Africa and Ehime, Japan) .......... 223

Chiral recognition in salts of trans-1,2-diaminocyclohexane and optically active tartaric acids: crystal
structure of 1:2 salt of (S,S) -diaminocyclohexane with (R R )-tartaric acid
U. Rychlewska (Poznan, Poland)........................................................ 235

Crystal structure of (-)-delta 16 (17) dehydrolupaninium perchlorate from sealed-tube and synchrotron X-ray
diffraction data

A. Katrusiak, A, Kowalski, D. Kucharczyk and H.-P. Weber (Poznan and Wroclaw, Poland, Lausanne-
Dorigny, Switzerland and Grenoble, France) ............................................... 245

Pyranose sulfamates: conformation and hydrogen bonding

M. Kubicki, P.W. Codding, S.A. Litster, M.B. Szkaradzinska and H.A. R. Bassyouni (Poznan, Poland,
Victoria B.C., and Calgary AB. Canada) ................................................... 255

Topochemical investigations of dimerizing 4-aryl-1,4-dihydropyridines by X-ray crystal structure analysis.
A. Hilgeroth, U. Baumeister and F.W. Heinemann (Halle and Erlangen, Germany) ................. 267

Crystal structure of a novel bismuth phthalocyanine-bismuth iodide complex
R. Kubiak and K. Ejsmont (Wroctaw and Opole, Poland) ..................................... 275

Author Index........................................................................... 283

Subject Index .......................................................................... 285

Volume Contents........................................................................ 291

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