X-ray Structure Analysis Online
Online ISSN : 1883-3578
ISSN-L : 1883-3578
Part 1
Multiple Molecules in the Crystallographic Asymmetric Unit of (Z)-3-(3-Chlorophenyl)-2-phenyl acrylic acid
RajnikantVivek K. GUPTAKamini KAPOORSunil KUMARKanahya Lal DHAR
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Supplementary material

2012 Volume 28 Pages 9-10

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Abstract

The title compound, (Z)-3-(3-chlorophenyl)-2-phenyl acrylic acid (C15H11ClO2), crystallizes in the monoclinic space group P21 with the following unit-cell parameters: a = 18.7975(12), b = 15.3248(9), c = 24.378(2)Å, β = 108.058(8)° and Z = 20. The crystal structure was solved by direct methods and refined by full-matrix least-squares procedures to a final R-value of 0.0781 for 8174 observed reflections. The molecule consists of two phenyl rings and an acrylic unit. In this structure there are ten crystallographically independent molecules in the asymmetric unit. Apparently, some minor differences in the conformations of these molecules in the asymmetric units could lead to different hydrogen-bond motifs. The crystal structure contains intermolecular O-H…O and C-H…π hydrogen bonds. The minimum π-π distance is 4.864(6)Å.

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© 2012 by The Japan Society for Analytical Chemistry
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