In the crystal structure of the title compound, C 19 H 19 N 3 O 3 , the benzene ring substituted by hydroxy and methoxy groups is essentially coplanar with the pyrazoline ring [dihedral angle = 12.9 (2) ], whereas the phenyl ring bonded directly to the pyrazoline ring forms a dihedral angle of 50.4
4-[(2,4-Dichlorobenzylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydropyrazol-3-one
✍ Scribed by Jing, Zuo-Liang ;Yu, Ming ;Chen, Xin ;Deng, Qi-Liang
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 159 KB
- Volume
- 61
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
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.
📜 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.
The structure of (I), with displacement ellipsoids for non-H atoms drawn at the 30% probability level.
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.