4-(4-Chlorophenyl)-3-phenyl-5-(4-pyridyl)-4H-1,2,4-triazole
✍ Scribed by Hu, Jing ;Ma, Guochun ;Chen, Guofeng ;Zhang, Wenqin
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 303 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The title compound, C 19 H 13 ClN 4 , was synthesized by the condensation of isonicotinohydrazide and N-(4-clorophenyl)benzimidoyl chloride in N,N-dimethylacetamide. In the title molecule, the triazole ring is oriented at dihedral angles of 34.64 (2), 30.97 (3) and 71.82 (3) with respect to the pyridyl, phenyl and chlorophenyl rings, respectively.
📜 SIMILAR VOLUMES
In the title compound, C~20~H~15~ClN~4~, the two benzene rings form dihedral angles of 30.95 (9) and 70.69 (6)° with the triazole ring, and the dihedral angle between the triazole and the pyridine rings is 43.38 (8)°. Intermolecular C—H...N hydrogen bonds are observed in the crystal structure.
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
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.005 A Ê Disorder in main residue R factor = 0.064 wR factor = 0.136 Data-to-parameter ratio = 12.4 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In the title compound, C 21 H 19 N 5 , the pyridyl groups and the benzene ring lie in a propeller arrangement around the central 1,2,4-triazole ring, minimizing the steric effects among these rings. ## Experimental Compound (I) was synthesized by the reaction of equivalent amounts of p-isopropylp