Variable temperature (100–360 K) single-crystal X-ray diffraction study of the orthorhombic polymorph of paracetamol (p-hydroxyacetanilide)
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Tatyana N. Drebushchak
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.
© 2004 Oldenbourg Wissenschaftsverlag GmbH
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Articles in the same Issue
- Shadowing and absorption corrections of single-crystal high-pressure data
- Orthotetrahedral crystal structures My(TO4)z (T = Si, Ge, P, As, S, Se, Cl, Br, I): geometrical-topological analysis, quasi-binary representation, and comparison with the AyXz compounds by the method of coordination sequences
- Synthesis, crystal structure and thermal decomposition of potassium-doped carbonated hydroxyapatite
- Solid state miscibility in the pseudo-binary TiO2—(FeSb)O4 system at 1373 K
- Multiple twinning of diamond synthesized by acetylene flame
- Variable temperature (100–360 K) single-crystal X-ray diffraction study of the orthorhombic polymorph of paracetamol (p-hydroxyacetanilide)
- Crystal and molecular structures of two triorganophosphinegold(I) 2-amino-cyclopent-1-ene-1-carbodithioates
