issue contents

STRUCTURAL
CHEMISTRY

ISSN: 2053-2296

Polymorphism special issue (December 2011)

Guest Editor(s): A. Linden

Polymorphism, particularly for molecular materials, was perhaps once considered a curiosity. Nowadays, polymorphism has become a crucial issue for the pharmaceutical industry. Different polymorphs of a drug can have quite different properties in terms of solubility, bioavailability, shelf life, ease of production, and other physical properties. Developments in crystal structure prediction in recent years have also highlighted hitherto unknown polymorphs.

Cover illustration: Differences in stacking for polymorphs of aspirin viewed down the b axis [Chan, Welberry, Heerdegen & Goossens (2010). Acta Cryst. B66, 696-707].

Virtual issue on polymorphism

A. Linden

Editorial

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Two polymorphs of a lead(II) complex with 8-hydroxy-2-methylquinoline and thiocyanate

G. Mohammadnezhad, M. M. Amini and V. Langer

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Two concomitant polymorphs of N,N′-bis[4-(diethylamino)phenyl]terephthaldiamide

P. Kuś, J. Borek and P. G. Jones

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Two polymorphs of chlorido(cyclohexyldiphenylphosphine)gold(I)

I. A. Guzei, I. Arachchige and S. A. Ivanov

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Two solid phases of pyrimidin-1-ium hydrogen chloranilate monohydrate determined at 225 and 120 K

K. Gotoh, T. Asaji and H. Ishida

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p-Phenylenediamine and its dihydrate: two-dimensional isomorphism and mechanism of the dehydration process, and N—H⋯N and N—H⋯π interactions

A. Czapik, H. Konowalska and M. Gdaniec

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The 293 K structure of tetradehydrohaliclonacyclamine A

I. W. Mudianta, M. J. Garson and P. V. Bernhardt

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A new polymorph of benzene-1,2-diamine: isomorphism with 2-aminophenol and two-dimensional isostructurality of polymorphs

A. Czapik and M. Gdaniec

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A new modification of thallium chromate related to the β-K₂SO₄ family

J. Fábry, M. Dušek, K. Fejfarová, R. Krupková and P. Vaněk

The title structure is a new modification of Tl₂CrO₄. It is closely related to the already known modification which belongs to the β-K₂SO₄ family, but it differs in the number of independent cations and anions: there are four independent Tl⁺ cations and two [CrO₄]²⁻ anions in the title structure, in contrast with the β-K₂SO₄ family where there are two independent cations and one anion.

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Monoclinic Cu₂Se₃Sn

L. D. Gulay, M. Daszkiewicz, T. A. Ostapyuk, O. S. Klymovych and O. F. Zmiy

The Cu₂Se₃Sn structure investigated in this paper is a superstructure of the cubic and monoclinic modifications reported earlier. The eight independent Cu atoms and four independent Sn atoms occupy, respectively, one-third and one-sixth of the tetrahedral holes in a pseudo-close-packed Se lattice. The cation positions are fully ordered.

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A new polymorph of dichloridotriphenylantimony

D. J. MacDonald, M. C. Jennings and K. E. Preuss

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Hydrogen-bonded supramolecular networks of N,N′-bis(4-pyridylmethyl)oxalamide and 4,4′-{[oxalylbis(azanediyl)]dimethylene}dipyridinium dinitrate

G.-H. Lee

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A third polymorph of 4-(2,6-difluorophenyl)-1,2,3,5-dithiadiazolyl

E. M. Fatila, M. C. Jennings, J. Goodreid and K. E. Preuss

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[VO(SeO₃)(H₂O)₂]·0.5H₂O

W. T. A. Harrison

The title compound contains infinite chains built up from V(H₂O)₂O₄ octahedra and SeO₃ pyramids. A network of O—H⋯O hydrogen bonds helps to consolidate the packing.

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β-Zn₃(AsO₃)₂

W. T. A. Harrison

β-Zn₃(AsO₃)₂ contains unusual edge-sharing ZnO₄ tetrahedra as part of its three-dimensional array of ZnO₄ and AsO₃ units. It is a polymorph of the mineral reinerite, which also contains edge-shared ZnO₄ tetrahedra.

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Bis(hinokitiolato)copper(II): modification (III)

D. M. Ho

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Polymorphs of DABCO monohydrate as structural analogues of NaCl

B. Wicher and M. Gdaniec

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Two new structures in the glycine–oxalic acid system

N. A. Tumanov, E. V. Boldyreva and N. E. Shikina

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Two polymorphs of safinamide, a selective and reversible inhibitor of monoamine oxidase B

K. Ravikumar and B. Sridhar

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Ezetimibe anhydrate, determined from laboratory powder diffraction data

J. Brüning, E. Alig and M. U. Schmidt

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Structural comparison of three N-(4-halogenophenyl)-N′-[1-(2-pyridyl)ethylidene]hydrazine hydrochlorides

J. Heilmann-Brohl, M. Wagner, H.-W. Lerner and M. Bolte

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Green chemistry synthesis: 2-amino-3-[(E)-(2-pyridyl)methylideneamino]but-2-enedinitrile monohydrate and 5-cyano-2-(2-pyridyl)-1-(2-pyridylmethyl)-1H-imidazole-4-carboxamide

M. Altaf and H. Stoeckli-Evans

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A monohydrate pseudopolymorph of 3,4-dihydroxybenzophenone and the role of water in the crystal assembly of benzophenones

I. M. R. Landre, T. E. Souza, R. S. Corrêa, F. T. Martins and A. C. Doriguetto

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Powder X-ray studies of meso-hexamethyl propylene amine oxime (meso-HMPAO) in two different phases

M. Al-Ktaifani and M. Rukiah

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A low-temperature phase of bis(tetrabutylammonium) octa-μ₃-chlorido-hexachlorido-octahedro-hexatungstate

D. H. Johnston, C. M. Brown, A. S. Yu and J. C. Gallucci

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Two three-dimensional networks in two polymorphs of biphenyl-4,4′-diaminium bis(3-carboxy-4-hydroxybenzenesulfonate) dihydrate

W. Yin, X. Huang, X. Xu and X. Meng

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Twinned low-temperature structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate

M. Lutz

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The structural phase transition in SrV₆O₁₁

Y. Hata, Y. Kanke and E. Kita

The structural transition in SrV₆O₁₁ was studied in detail by single-crystal X-ray diffraction and specific heat measurements. The specific heat showed three anomalies at 43.8, 77.7 and 322 K. The diffraction study established that SrV₆O₁₁ crystallizes in P6₃mc at 353 K, but in P6₃/mmc at room temperature. The present study establishes that the P6₃/mmc to P6₃mc transition takes place at 322 K, coinciding with the magnetic transition.

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Polymorphism in 2-(4-hydroxy-2,6-dimethylanilino)-5,6-dihydro-4H-1,3-thiazin-3-ium chloride

J. Gutierrez, R. Eisenberg, G. Herrensmith, T. Tobin, T. Li and S. Long

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Anhydrous 1:1 proton-transfer compounds of isonipecotamide with picric acid and 3,5-dinitrosalicylic acid: 4-carbamoylpiperidinium 2,4,6-trinitrophenolate and two polymorphs of 4-carbamoylpiperidinium 2-carboxy-4,6-dinitrophenolate

G. Smith and U. D. Wermuth

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Two new polymorphs of 2,6-diaminopyrimidin-4(3H)-one monohydrate

N. Suleiman Gwaram, H. Khaledi, H. Mohd Ali and M. M. Olmstead

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Five pseudopolymorphs and a cocrystal of nitrofurantoin

M. Tutughamiarso, M. Bolte, G. Wagner and E. Egert

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A dynamic disorder-linked reversible phase transition in a new chloroform solvate of cis-dichloridobis(triethylphosphane)platinum(II)

K. B. Dillon, J. A. K. Howard, P. K. Monks, M. R. Probert and H. J. Shepherd

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A new polymorph of 1,4-dibromo-2,5-dimethylbenzene: H⋯Br and Br⋯π versus Br⋯Br interactions

P. G. Jones and P. Kuś

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L-Cysteinium semioxalate: a new monoclinic polymorph or a hydrate?

V. S. Minkov and E. V. Boldyreva

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Synthetic ferric sulfate trihydrate, Fe₂(SO₄)₃·3H₂O, a new ferric sulfate salt

W. Xu and J. B. Parise

A new ferric sulfate trihydrate has been synthesized at 403 K under hydrothermal conditions. The structure consists of quadruple chains of [Fe₂(SO₄)₃(H₂O)₃] $^0_{\infty}$ parallel to [010]. Each quadruple chain is composed of equal proportions of FeO₄(H₂O)₂ octahedra and FeO₅(H₂O) octahedra sharing corners with SO₄ tetrahedra. The chains are joined to each other by hydrogen bonds.

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Two polymorphs of tetraethylammonium [hydrogen tris(3,5-dimethylpyrazolyl)borato]di-μ₂-sulfido-disulfido(η²-tetrasulfido)ditungsten(V) with Z′ = 1 and 2

A. Beheshti, W. Clegg, N. Ebrahimi Filoori and L. Russo

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Conformational polymorphism of (E,E)-N,N′-bis(4-nitrobenzylidene)benzene-1,4-diamine

A. Collas, M. Zeller and F. Blockhuys

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Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal

V. Gerhardt, M. Tutughamiarso and M. Bolte

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Poly[(μ₃-benzene-1,4-diacetato)[μ₂-1,4-bis(1,2,4-triazol-1-yl)butane]cadmium(II)]: self assembly into a three-dimensional supramolecular framework based on [Cd(μ₃-benzene-1,4-diacetate)] double chains

J. Wang, J.-Q. Tao and X.-J. Xu

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Two polymorphs of (2-carboxyethyl)(phenyl)phosphinic acid

Q.-S. Hu, X.-Z. Zhang, S.-F. Luo, Y.-H. Sun and Z.-Y. Du

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1,5-Dianilinopentane-1,3,5-trione: a crystal structure containing two polymorphic domains

J. W. Bats, J. Brüning and M. U. Schmidt

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A new rhombohedral modification of EuNi₅In

I. Bigun, V. Smetana and Y. Kalychak

The structure of the rhombohedral form of EuNi₅In consists of CaCu₅ (EuNi₅)-, MgCu₂ (InNi₂)- and NiAs (EuNi)-type slabs in a 1:2:1 ratio. The structure features a two-dimensional network of ²_∞[Ni₈] tetrahedral clusters arranged in the ab plane.

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1-(9H-Carbazol-4-yloxy)-3-{[2-(2-methoxyphenoxy)ethyl]amino}propan-2-ol hemihydrate: a carvedilol solvatomorph

F. Díaz, A. Benassi, M. Quintero, G. Polla, E. Freire and R. Baggio

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Polysulfonylamines. CXCI. The `almost' polymorphs rac-trans-2-aminocyclohexan-1-aminium di(methanesulfonyl)azanide and its 0.11-hydrate

C. Wölper, N. Anwar, N. Gulzar, P. G. Jones and A. Blaschette

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N-(tert-Butoxycarbonyl)-α-aminoisobutyryl-α-aminoisobutyric acid methyl ester: two polymorphic forms in the space group P2₁/n

H. G. Gebreslasie, Ø. Jacobsen and C. H. Görbitz

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Concomitant polymorphism in the stereoselective synthesis of a β-benzyl-β-hydroxyaspartate analogue

S. Mekki, V. Rolland, S. Bellahouel, A. van der Lee and M. Rolland

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Solvatomorphism in (E)-2-(2,6-dichloro-4-hydroxybenzylidene)hydrazinecarboximidamide

J. Gutierrez, R. Eisenberg, G. Herrensmith, T. Tobin, T. Li and S. Long

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Weak C—H⋯Cl—Pd interactions toward conformational polymorphism in trans-dichloridobis(triphenylphosphane)palladium(II)

R. S. Corrêa, A. E. Graminha, J. Ellena and A. A. Batista

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1,2-Bis[(pyridin-2-ylmethyl)sulfanyl]ethane and its dimorphic hydrochloride salt

A. Lennartson and C. J. McKenzie

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A tetragonal form of dysprosium orthomolybdate at room temperature

S. Dorzhieva, I. Chumak, A. Sarapulova, D. Mikhailova, J. Bazarova and H. Ehrenberg

The single crystals of the tetragonal modification of dysprosium orthomolybdate obtained in the present work are stable at room temperature. The crystal structure is formed by corner-sharing MoO₄ tetrahedra and Dy polyhedra coordinated by seven O atoms.

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