The structure of (I), with displacement ellipsoids for non-H atoms drawn at the 30% probability level.
4-[(4-Hydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one monohydrate
✍ Scribed by Jing, Zuo-Liang ;Fan, Zhi ;Yu, Ming ;Chen, Xin ;Deng, Qi-Liang
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 191 KB
- Volume
- 61
- Category
- Article
- ISSN
- 1600-5368
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
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.
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.
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.
The crystal structure of the title compound, C 18 H 15 Cl 2 N 3 O, shows that the Cl atoms take part in intermolecular C-HÁ Á ÁCl interactions.