2-Phenyl-2H-1,2,3-triazole-4-carboxylic acid
✍ Scribed by Zhang, Ling-Yu ;Tian, Lai-Jin ;Zhang, Chang-Fa
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 269 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
In the title compound, C~9~H~7~N~3~O~2~, the dihedral angle between the triazole and phenyl ring planes is 4.72 (6)°. In the crystal structure, classical inversion dimers arise from O—H...O hydrogen bonds between carboxylic acid groups.
📜 SIMILAR VOLUMES
The title molecule, C 14 H 11 N 3 OS, is non-planar. The phenyl and hydroxyphenyl rings form dihedral angles of 69.08 (9) and 24.57 (9) , respectively, with the ®ve-membered 2,4-dihydro-1,2,4-triazole ring. The molecules form centrosymmetric dimers through NÐHÁ Á ÁS hydrogen bonds, with an NÁ Á ÁS d
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.