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

CrystEngComm Pub Date: 2010-08-16 DOI: 10.1039/B926652F

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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