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-Bromophenyl)-3-(2-chloro-6-fluorophenyl)prop-2-en-1-one
✍ Scribed by Patil, P. S. ;Rosli, Mohd Mustaqim ;Fun, Hoong-Kun ;Razak, Ibrahim Abdul ;Dharmaprakash, S. M.
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 887 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
In the title molecule, C 15 H 9 BrClFO, the dihedral angle between the two benzene rings is 22.7 (1) . The crystal structure is stabilized by intermolecular C-HÁ Á ÁF interactions and short BrÁ Á ÁCl contacts [BrÁ Á ÁCl = 3.579 (1) A ˚]. The compound can potentially exhibit second-order nonlinear optical properties as it crystallizes in a noncentrosymmetric space group.
📜 SIMILAR VOLUMES
The title compound, C 16 H 13 BrO 2 , crystallizes with two independent molecules (A and B) in the asymmetric unit. The dihedral angle between the two benzene rings is 45.94 ( 8) in molecule A and 46.82 ( 7) in molecule B. The crystal packing is stabilized by weak C-HÁ Á Á interactions.