2-[(4-Chlorophenyl)hydroxymethyl]cyclopent-2-en-1-one
✍ Scribed by Huo, Fangjun ;Yin, Caixia ;Yang, Pin
- Publisher
- International Union of Crystallography
- Year
- 2004
- Tongue
- English
- Weight
- 291 KB
- Volume
- 60
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The crystal structure of the title compound, C 12 H 11 ClO 2 , contains intermolecular OÐHÁ Á ÁO and CÐHÁ Á ÁO interactions, linking the molecules to form a three-dimensional framework. The dihedral angle between the cyclopentene plane and the benzene ring plane is 67.00 (7) . CÐHÁ Á Á% interactions are also present.
📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 100 K Mean '(C±C) = 0.003 A Ê Disorder in main residue R factor = 0.055 wR factor = 0.113 Data-to-parameter ratio = 14.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
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
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