Single-crystal X-ray study T = 291 K Mean (C-C) = 0.005 A R factor = 0.051 wR factor = 0.113 Data-to-parameter ratio = 15.4 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
1,5-Dimethyl-2-phenyl-4-[(1E)-(2,3,4-trihydroxybenzylidene)amino]-1H-pyrazol-3(2H)-one
✍ Scribed by Sun, Yi-Feng ;Li, Ji-Kun ;Zheng, Ze-Bao ;Wu, Ren-Tao
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 206 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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📜 SIMILAR VOLUMES
In the title compound, C~18~H~16~BrN~3~O, the pyrazole ring is planar but substituent atoms are displaced from the mean plane. Weak C—H...Br and C—H...O hydrogen bonding between molecules helps to stabilize the crystal structure.
In the crystal structure of the title Schiff base compound, C 16 H 15 N 3 OS, there are three C-HÁ Á ÁO hydrogen bonds which stabilize the molecular and crystal structures.
The crystal structure of the title compound, C 19 H 19 N 3 O 2 , shows the molecule to be essentially planar with the exception of the terminal phenyl group. Molecules are associated via intermolecular C-HÁ Á ÁO hydrogen bonds.
The structure of (I), with displacement ellipsoids for non-H atoms drawn at the 30% probability level.