4-(4-Bromophenyl)-1-(2,6-difluorobenzyl)- 3-(3,4,5-trimethoxyphenyl)-1H-1,2,4- triazole-5(4H)-thione

Fun, Hoong-Kun and Ooi, Chin Wei and Chandrakantha , B and Isloor, Arun M and Shetty, Prakash (2012) 4-(4-Bromophenyl)-1-(2,6-difluorobenzyl)- 3-(3,4,5-trimethoxyphenyl)-1H-1,2,4- triazole-5(4H)-thione. Acta Crystallographica Section E Structure Reports , 68 (1). pp. 68-89. ISSN 1600-5368

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Abstract

In the title compound, C24H20BrF2N3O3S, the triazole ring (r.m.s. deviation = 0.0107 A ° ) makes dihedral angles of 28.18 (14), 63.76 (14) and 77.01 (18)°, respectively, with the trimethoxy-, bromo-, and difluoro-substituted benzene rings. The C atoms of the meta methoxy groups are roughly coplanar with their ring [displacements = -0.289 (4) and 0.083 (7) A ° ], whereas the C atom of the para group is displaced [1.117 (3) A ° ]. In the crystal, inversion dimers linked by two pairs of C—H...O hydrogen bonds occur. The ring motif of the two hydrogen bonds to their symmetry-generated O-atom acceptors is R2 2(8).

Item Type: Article
Uncontrolled Keywords: single-crystal X-ray study; T = 296 K; mean (C–C) = 0.005 A° ; R factor = 0.048; wR factor = 0.158; data-to-parameter ratio = 22.7.
Subjects: Engineering > MIT Manipal > Chemistry
Engineering > MIT Manipal > Printing and Media
Depositing User: MIT Library
Date Deposited: 14 Aug 2012 09:34
Last Modified: 14 Aug 2012 09:34
URI: http://eprints.manipal.edu/id/eprint/77035

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