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.
1-(4-Methylphenyl)-3-(2-thienyl)prop-2-en-1-one
✍ Scribed by Rosli, Mohd Mustaqim ;Patil, P. S. ;Fun, Hoong-Kun ;Razak, Ibrahim Abdul ;Dharmaprakash, S. M.
- Publisher
- International Union of Crystallography
- Year
- 2006
- Tongue
- English
- Weight
- 128 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
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.
📜 SIMILAR VOLUMES
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.
The title compound, C~17~H~17~BrO~2~S, forms centrosymmetric dimers linked by weak C—H...O hydrogen bonding generating an __R__ ^2^(10) ring. The dihedral angle between the thienyl and benzene rings is 5.79 (10)°.