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Zeitschrift für Kristallographie - Crystalline Materials

Editor-in-Chief: Pöttgen, Rainer

Ed. by Antipov, Evgeny / Bismayer, Ulrich / Boldyreva, Elena V. / Huppertz, Hubert / Petrícek, Václav / Tiekink, E. R. T.

12 Issues per year


IMPACT FACTOR 2016: 3.179

CiteScore 2016: 3.30

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Source Normalized Impact per Paper (SNIP) 2016: 2.592

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2196-7105
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Volume 219, Issue 8 (Aug 2004)

Issues

Variable temperature (100–360 K) single-crystal X-ray diffraction study of the orthorhombic polymorph of paracetamol (p-hydroxyacetanilide)

Tatyana N. Drebushchak / Elena V. Boldyreva
Published Online: 2009-09-25 | DOI: https://doi.org/10.1524/zkri.219.8.506.38329

Abstract

The crystal structure of the orthorhombic polymorph of paracetamol was refined in Pbca space group by single-crystal X-ray diffraction at 100, 200, 300, 360 K. Cell parameters were measured in the range between 100 and 360 K. The anisotropy of lattice strain on cooling was analysed and compared with that induced by increasing pressure. The data for the orthorhombic paracetamol were compared also with the results previously reported for the monoclinic form of the same compound. The bulk thermal expansion coefficient of the orthorhombic polymorph is larger than that for the monoclinic form. Maximum compression on cooling was observed in the direction normal to the molecular layers. The structure expanded slightly on cooling in the crystallographic a-direction. Relative compressibility of OH…O and NH…O intermolecular hydrogen bonds on cooling, as well as the changes in the intramolecular geometry of paracetamol molecules and the atomic displacement parameters were measured and analysed.

About the article

Published Online: 2009-09-25

Published in Print: 2004-08-01


Citation Information: Zeitschrift für Kristallographie - Crystalline Materials, ISSN (Online) 2196-7105, ISSN (Print) 2194-4946, DOI: https://doi.org/10.1524/zkri.219.8.506.38329.

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© 2004 Oldenbourg Wissenschaftsverlag GmbH. Copyright Clearance Center

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