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C—H⋯N contacts in 4-phenyl-3-(4-pyridyl)-4H-1,2,4-triazole

✍ Scribed by Mazur, Liliana ;Koziol, Anna E. ;Modzelewska-Banachiewicz, Bozena

Publisher: International Union of Crystallography
Year: 2004
Tongue: English
Weight: 446 KB
Volume: 60
Category: Article
ISSN: 1600-5368
DOI: 10.1107/s1600536804028417

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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 pyri

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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.

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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

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