N′-Benzoyl-4H-1,2,4-triazole-3-carbohydrazide
✍ Scribed by Ge, Chang-Hua ;Chen, Ding-Ben ;Pan, Fu-You ;Huang, Ling ;Yang, Jian-Guo
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 241 KB
- Volume
- 61
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
In the crystal structure of the title compound, C 10 H 9 N 5 O 2 , intermolecular N-HÁ Á ÁN [HÁ Á ÁN = 2.13 (2) A ˚] and N-HÁ Á ÁO [HÁ Á ÁO = 2.016 (18) and 2.05 (2) A ˚] hydrogen bonds link molecules into a two-dimensional framework.
📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.004 A Ê R factor = 0.043 wR factor = 0.140 Data-to-parameter ratio = 12.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In the molecule of the title compound, C 5 H 7 N 7 S, the essentially planar triazole ring and the 4-amino-5-mercapto-1,2,4-triazole moiety make a dihedral angle of 70.97 (5) . In the crystal structure, weak intermolecular N-HÁ Á ÁN and N-HÁ Á ÁS hydrogen bonds stabilize the packing.
In the title compound, C 12 H 12 N 6 O 2 S, the thiophene ring is disordered equally over two positions, corresponding to rotation of approximately 180 about the C-C single bond. The central triazole ring has substituents at the 1-, 3-, 4-and 5positions. Intermolecular C-HÁ Á ÁN and C-HÁ Á ÁO intera