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4-(3-Chloro-phen-yl)-3-[(2,6-difluoro-benz-yl)sulfan-yl]-5-(3,4,5-trimeth-oxy-phen-yl)-4H-1,2,4-triazole.

ABSTRACT: In the title compound, C(24)H(20)ClF(2)N(3)O(3)S, the essentially planar triazole ring (r.m.s. deviation = 0.001?Å) forms dihedral angles of 22.35?(10), 68.17?(10) and 42.01?(10)° with the mean planes of the trimeth-oxy-phenyl, chloro-phenyl and difluoro-phenyl rings, respectively. A weak intra-molecular C-H?? inter-action occurs. In the crystal, mol-ecules 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?? inter-actions.

SUBMITTER: Fun HK 

PROVIDER: S-EPMC3239058 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

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4-(3-Chloro-phen-yl)-3-[(2,6-difluoro-benz-yl)sulfan-yl]-5-(3,4,5-trimeth-oxy-phen-yl)-4H-1,2,4-triazole.

Fun Hoong-Kun HK   Asik Safra Izuani Jama SI   Chandrakantha B B   Isloor Arun M AM   Shetty Prakash P  

Acta crystallographica. Section E, Structure reports online 20111125 Pt 12

In the title compound, C(24)H(20)ClF(2)N(3)O(3)S, the essentially planar triazole ring (r.m.s. deviation = 0.001 Å) forms dihedral angles of 22.35 (10), 68.17 (10) and 42.01 (10)° with the mean planes of the trimeth-oxy-phenyl, chloro-phenyl and difluoro-phenyl rings, respectively. A weak intra-molecular C-H⋯π inter-action occurs. In the crystal, mol-ecules 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⋯π inter-  ...[more]

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