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1-(4-Chloro­phenyl)-3-(2-thienyl)prop-2-en-1-one

✍ Scribed by Ng, Shea-Lin ;Patil, P. S. ;Razak, Ibrahim Abdul ;Fun, Hoong-Kun ;Dharmaprakash, S. M.


Publisher
International Union of Crystallography
Year
2006
Tongue
English
Weight
296 KB
Volume
62
Category
Article
ISSN
1600-5368

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✦ Synopsis


The enone fragment, the thiophene ring and the benzene ring of the title molecule, C 13 H 9 ClOS, are all essentially individually planar. The thiophene ring is disordered over two sites, corresponding to a rotation of approximately 180 about the single C-C bond to which it is attached. The crystal packing is stabilized by weak intermolecular C-HÁ Á Á interactions involving thiophene rings and benzene rings, and molecules are stacked along the b axis.


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1-(4-Methyl­phen­yl)-3-(2-thien­yl)prop-
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The title compound, C 14 H 12 OS, crystallizes with the two independent molecules in the asymmetric unit. All bond lengths and angles in both molecules show normal values. No intermolecular hydrogen bonds or short contacts are found in the crystal structure.

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Single-crystal X-ray study T = 100 K Mean (C-C) = 0.001 A Disorder in main residue R factor = 0.029 wR factor = 0.075 Data-to-parameter ratio = 40.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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The thiophene ring of the title compound, C 13 H 9 NO 3 S, is disordered. An approximate 180 rotation of the thiophene ring with respect to the central C-C single bond is observed in the molecule.

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The title compound, C 15 H 11 ClO 2 , is almost planar and adopts an E configuration. The dihedral angle between the two benzene rings is 10.76 ( 6) . An intramolecular O-HÁ Á ÁO hydrogen bond generates an S(6) ring motif. Molecules are arranged in layers approximately parallel to the (204) plane an