3-Phenyl-2-(2,4,5-tricyanophenylmethyl)-1H-indene
✍ Scribed by Huang, Jie-Qiong ;Lu, Zhi-Feng
- Book ID
- 104487175
- Publisher
- International Union of Crystallography
- Year
- 2006
- Tongue
- English
- Weight
- 118 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
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The title compound, C 27 H 16 Cl 2 F 6 N 4 O 2 ÁH 2 O, was obtained by the reaction of 2,4-dichlorobenzaldehyde and 2-phenyl-5trifluoromethyl-2H-pyrazol-3-ol in aqueous media without any catalyst. In the crystal structure, both intra-and intermolecular hydrogen bonds are found.
Single-crystal X-ray study T = 294 K Mean (C-C) = 0.003 A R factor = 0.043 wR factor = 0.113 Data-to-parameter ratio = 15.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In the title compound, C 25 H 23 N 3 O 5 S, the vanillin group makes dihedral angles of 1.42 (11), 63.76 (10) and 51.00 (10) , respectively, with the pyrazolone ring, the phenyl ring attached to the sulfonyl group, and the phenyl ring attached to the pyrazolone ring. The crystal packing is governed