All interatomic distances in the title compound, C~13~H~15~N~3~O~2~S, are normal. The 1,2,4-triazole ring is planar and is inclined at 46.50 (6)° to the phenyl ring. The ethoxycarbonylmethyl group is also close to being planar and is inclined at 87.54 (9)° to the 1,2,4-triazole ring. The crystal was
3-Methyl-1-phenyl-4,5-dihydro-1,2,4-triazol-5(1H)-one
✍ Scribed by Jing, Heng ;Zhu, Hong-Jun ;Liu, Shan ;Zheng, Wei ;Wu, Ya-Ming
- Publisher
- International Union of Crystallography
- Year
- 2006
- Tongue
- English
- Weight
- 131 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
No coin nor oath required. For personal study only.
✦ Synopsis
In the molecule of the title compound, C 9 H 9 N 3 O, the dihedral angle between the planar rings is 7.49 (3) . In the crystal structure, intermolecular N-HÁ Á ÁO hydrogen bonds link the molecules into dimers, which may be effective in the stabilization of the crystal structure.
📜 SIMILAR VOLUMES
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.
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.005 A Ê R factor = 0.051 wR factor = 0.141 Data-to-parameter ratio = 14.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In the title complex, [Sn(C 6 H 5 ) 3 (C 8 H 7 N 4 S)], all bond lengths and angles show normal values. The Sn centre is fourcoordinated by three C atoms [Sn-C 2.119 (6)-2.133 (6) A ˚] and one N atom [Sn-N 2.107 (5) A ˚] in a distorted tetrahedral geometry. The crystal packing exhibits no classical
All interatomic distances in the title compound, C~5~H~7~N~3~O~2~S, are normal. The 1,2,4-triazoline ring is planar and it is inclined at 78.61 (7)° to the planar acetic acid group. The molecules of the title compound are connected __via__ O—H...N hydrogen bonds into zigzag chains along the [101] di