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1-(4-Methyl-phenyl-sulfon-yl)-2-{[3-methyl-4-(2,2,2-tri-fluoro-eth-oxy)pyridin-2-yl]methyl-sulfan-yl}-1H-1,3-benzimidazole.

ABSTRACT: In the title compound, C23H20F3N3O3S2, the benzo-imidazole unit makes dihedral angles of 5.02?(1) and 76.42?(1)°, respectively, with the pyridine and methyl-benzene rings; the dihedral angle between the pyridine and methyl-benzene rings is 72.19?(1)°. In the crystal, mol-ecules are connected by weak C-H?F, C-H?O and C-H?N hydrogen bonds. Weak C-H?? inter-actions and ?-? stacking [centroid-centroid distance = 3.6485?(14)?Å] are also observed. The overall packing shows a three-dimensional architecture. The crystal structure contains a void of 51?Å(3), but no solvent mol-ecule (hexane or ethyl acetate) is located within it.

SUBMITTER: Shivaprasad CM

PROVIDER: S-EPMC3885087 | biostudies-other | 2013 Nov

REPOSITORIES: biostudies-other

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1-(4-Methyl-phenyl-sulfon-yl)-2-{[3-methyl-4-(2,2,2-tri-fluoro-eth-oxy)pyridin-2-yl]methyl-sulfan-yl}-1H-1,3-benzimidazole.

Shivaprasad C M CM Kumar S Madan SM Swaroop T R TR Rangappa K S KS Lokanath N K NK

Acta crystallographica. Section E, Structure reports online 20131130 Pt 12

In the title compound, C23H20F3N3O3S2, the benzo-imidazole unit makes dihedral angles of 5.02 (1) and 76.42 (1)°, respectively, with the pyridine and methyl-benzene rings; the dihedral angle between the pyridine and methyl-benzene rings is 72.19 (1)°. In the crystal, mol-ecules are connected by weak C-H⋯F, C-H⋯O and C-H⋯N hydrogen bonds. Weak C-H⋯π inter-actions and π-π stacking [centroid-centroid distance = 3.6485 (14) Å] are also observed. The overall packing shows a three-dimensional architec ...[more]

PMID: 24454263

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