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Issue 12, 2010
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Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene

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Abstract

The polar molecule (trans)-4-chloro-4′-nitrostilbene, which shows significant second harmonic generation in the solid state, has been crystallized from 12 different solvents. Careful X-ray diffraction studies on 18 different crystals revealed varying deviations from an exact 50 : 50 head-to-tail orientational disorder and thus from the centrosymmetric average structure reported previously. The degree of disorder varies somewhat with the solvents used for crystallization. A weak correlation is found between the deviations from a centrosymmetric structure and the polarity of the solvent. No polymorphs were observed.

Graphical abstract: Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene

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Article information


Submitted
21 Dec 2009
Accepted
14 Jun 2010
First published
16 Aug 2010

CrystEngComm, 2010,12, 4101-4108
Article type
Paper

Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene

N. Behrnd, G. Labat, P. Venugopalan, J. Hulliger and H. Bürgi, CrystEngComm, 2010, 12, 4101
DOI: 10.1039/B926652F

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