Fun, Hoong-Kun and Asik, Safra Izuani Jama and Chandrakantha , B and Isloor, Arun M and Shetty, Prakash (2011) 4-(3-Chlorophenyl)-3-[(2,6-difluorobenzyl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole. Acta Crystallographica Section E Structure Reports , 67 (12). pp. 3422-3423. ISSN 1600-5368

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In the title compound, C24H20ClF2N3O3S, the essentially planar triazole ring (r.m.s. deviation = 0.001 A ° ) forms dihedral angles of 22.35 (10), 68.17 (10) and 42.01(10)' with the mean planes of the trimethoxyphenyl, chlorophenyl and difluorophenyl rings, respectively. A weak intramolecular C—H... interaction occurs. In the crystal, molecules are linked into sheets lying parallel to the bc plane by C—H...O and C— H...N hydrogen bonds. The crystal packing also features weak C—H... interactions.

Item Type: Article
Uncontrolled Keywords: single-crystal X-ray study; T = 100 K; mean (C–C) = 0.003 A° ; R factor = 0.049; wR factor = 0.110; data-to-parameter ratio = 21.6.
Subjects: Engineering > MIT Manipal > Chemistry
Engineering > MIT Manipal > Printing and Media
Depositing User: MIT Library
Date Deposited: 10 Jan 2012 09:43
Last Modified: 10 Jan 2012 09:43
URI: http://eprints.manipal.edu/id/eprint/2029

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