5-Mesylamino-2H-1,2,3-triazole-4-carbonitrile monohydrate
✍ Scribed by Kálmán, A. ;Párkányl, L. ;Schawartz, J. ;Simon, K.
- Book ID
- 114523571
- Publisher
- International Union of Crystallography
- Year
- 1976
- Weight
- 308 KB
- Volume
- 32
- Category
- Article
- ISSN
- 0567-7408
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📜 SIMILAR VOLUMES
In the title compound, C 11 H 14 N 4 OSÁH 2 O, the dihedral angle between the ethoxybenzene group and the triazole ring is 48.20 (8) . Intermolecular N-HÁ Á ÁO and O-HÁ Á ÁN hydrogen bonds involving the water molecules form a chain along the a axis.
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.002 A Ê R factor = 0.045 wR factor = 0.099 Data-to-parameter ratio = 14.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In the title compound, C 9 H 10 N 4 O 4 ÁH 2 O, the triazole ring is nearly planar. The 1,3-dioxane-4,6-dione ring exhibits a halfchair conformation. Two intramolecular N-HÁ Á ÁÁO hydrogen bonds, with OÁ Á ÁH distances of 2.23 (2) and 1.99 (2) A ˚, and two intermolecular O-HÁ Á ÁÁN hydrogen bonds, w