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3-Fluoro-12H-benzimidazo[2,1-b][1,3]benzothia-zin-12-one.

ABSTRACT: In the title compound, C(14)H(7)FN(2)OS, prepared by the reaction of 2-bromo-4-fluoro-benzoyl choride with 2-mercaptobenzimidazole, the four-membered fused-ring system is essentially planar [maximum deviation from the mean plane = 0.035?(2)?Å]. The crystal packing is stabilized by weak inter-molecular ?-? [minimum ring centroid-centroid separation = 3.509?(7)?Å], weak C-F?? [F?centroid = 3.4464?(17)?Å, C-F?centroid = 97.72?(11)°] and C-O?? [O?centroid = 3.5230?(16) and 3.7296?(17)?Å, C-O?centroid = 86.40?(10) and 86.25?(10)°] inter-actions and weak inter-molecular C-H?N hydrogen bonds.

SUBMITTER: Wang Z

PROVIDER: S-EPMC3275067 | biostudies-literature | 2012 Feb

REPOSITORIES: biostudies-literature

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3-Fluoro-12H-benzimidazo[2,1-b][1,3]benzothia-zin-12-one.

Wang Zhiming Z Yu Bin B Zhang Xiuqin X Cui Yuan Y Sun Xiaoqiang X

Acta crystallographica. Section E, Structure reports online 20120114 Pt 2

In the title compound, C(14)H(7)FN(2)OS, prepared by the reaction of 2-bromo-4-fluoro-benzoyl choride with 2-mercaptobenzimidazole, the four-membered fused-ring system is essentially planar [maximum deviation from the mean plane = 0.035 (2) Å]. The crystal packing is stabilized by weak inter-molecular π-π [minimum ring centroid-centroid separation = 3.509 (7) Å], weak C-F⋯π [F⋯centroid = 3.4464 (17) Å, C-F⋯centroid = 97.72 (11)°] and C-O⋯π [O⋯centroid = 3.5230 (16) and 3.7296 (17) Å, C-O⋯centroi ...[more]

PMID: 22347012

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