The structure of (I), showing the atomic numbering. Displacement ellipsoids are drawn at the 30% probability level.
3-[(4-Fluorophenyl)methylenehydrazinocarbonyl]-1H-1,2,4-triazole monohydrate
✍ Scribed by Pan, Fu-You ;Yang, Jian-Guo
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 380 KB
- Volume
- 61
- Category
- Article
- ISSN
- 1600-5368
No coin nor oath required. For personal study only.
✦ Synopsis
The title compound, C 10 H 8 FN 5 OÁH 2 O, was synthesized by the reaction of (1H-1,2,4-triazol-3-yl)hydrazine with 4-fluorobenzaldehyde in ethanol. The molecule is almost planar and in the crystal structure screw-related molecules are linked by N-HÁ Á ÁO and N-HÁ Á ÁN hydrogen bonds to form chains along the b axis. The chains are interlinked by the water molecules via O-HÁ Á ÁN hydrogen bonds.
📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.005 A Ê R factor = 0.048 wR factor = 0.128 Data-to-parameter ratio = 13.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
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.
The title compound, C 14 H 12 N 4 , is a disubstituted 1,2,4-triazole derivative. The triazole ring is planar and its dihedral angles with the attached pyridyl and methylphenyl rings are 25.2 (3) and 66.9 (3) , respectively. The crystal structure is stabilized by a number of CÐHÁ Á ÁN hydrogen bonds