Single-crystal X-ray study T = 100 K Mean '(C±C) = 0.003 A Ê R factor = 0.061 wR factor = 0.150 Data-to-parameter ratio = 16.4 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
2-{5-[N-(4-tert-Butylbenzyl)carbamoyl]-3-phenyl-1H-pyrazol-1-yl}acetic acid
✍ Scribed by Ge, Yan-Qing ;Xia, Yong ;Dong, Wen-Liang ;Wei, Fang ;Zhao, Bao-Xiang
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 112 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
In the title compound, C~23~H~25~N~3~O~3~, all bond lengths and angles show normal values. The dihedral angles between the rings of the pyrazole and the unsubstituted and tert-butyl-substituted benzene rings are 8.6 (2) and 78.5 (3)°, respectively, while that between the two benzene rings is 76.6 (3)°.
📜 SIMILAR VOLUMES
In the title compound, C 29 H 25 NO 2 S 2 , the benzene rings of the phenylsulfonyl and the dimethylbenzyl substituents are almost perpendicular to the indole unit, whereas the dihedral angle between the phenyl rings of the phenylsulfanyl and phenylsulfonyl groups is 71.2 (1) . The molecules in the
The title compound, C 20 H 21 NO, was obtained by the reaction of indole-3-carbaldehyde with 4-tert-butylbenzyl chloride and recrystallization of the product from ethanol. The indole ring system is nearly planar and makes a dihedral angle of 74.45 (3) with the plane of the 4-tert-butylphenyl ring.
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.
In the title compound, C 15 H 14 ClF 3 N 2 O 2 , the benzene and pyrazolyl rings form a dihedral angle of 15.9 (3) .