The acyclic C=N double bond of the title compound, C~10~H~10~N~4~S, is __trans__ configured. The molecule is almost planar. The angle between the two rings is just 10.25 (7)°. The crystal packing is stabilized by N—H...S hydrogen bonds and π–π interactions.
Crystal and Molecular Structures of Two Triazole Derivatives: 4-Cyclopropyl-4,5-dihydro-1H-1,2,3-triazole and Methyl 1-benzyl-1H-1,2,3-triazole-4-carboxylate
✍ Scribed by Núbia Boechat; Maria de L. G. Ferreira; Monica M. Bastos; Ane L. S. Camilo; Solange M. S. V. Wardell; James L. Wardell; Edward R. T. Tiekink
- Publisher
- Springer
- Year
- 2010
- Tongue
- English
- Weight
- 359 KB
- Volume
- 40
- Category
- Article
- ISSN
- 1572-8854
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Single-crystal X-ray study T = 295 K Mean '(C±C) = 0.003 A Ê R factor = 0.034 wR factor = 0.084 Data-to-parameter ratio = 12.8 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In the title compound, C~12~H~10~N~8~O~2~S, the triazole and benzene rings make dihedral angles of 72.16 (2) and 7.39 (3)°, respectively, with the thione-substituted triazole ring. In the crystal structure, intermolecular N—H...N hydrogen bonds link the molecules into chains running in the [101] dir
In the title compound, C 12 H 11 N 7 OS, the dihedral angles made by the thione-substituted triazole ring with the other triazole ring and the benzene ring are 71.56 (2) and 47.89 (3) , respectively. Inter-and intramolcular hydrogen-bond interactions stabilize the structure.