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2-Bromo-5-tert-butyl-N-methyl-N-[2-(methyl-amino)-phen-yl]-3-(1-methyl-1H-benzimidazol-2-yl)benzamide.


ABSTRACT: In the title compound, C27H29BrN4O, benzimidazole ring system and the amide moiety are planar [r.m.s. deviations = 0.016?(2) and 0.017?(1)?Å, respectively]. The mol-ecule adopts a conformation in which the amide linkage is almost perpendicular to the central ring [dihedral angle = 85.79?(8)°], while the benzimidazole ring system makes a dihedral angle of 70.26?(11)° with the central ring. In the crystal, the mol-ecules form dimers through N-H?O hydrogen bonds and C-H?O interactions. These dimers are further linked into zigzag ribbons along [201] by weak C-H?Br inter-actions. As a result of the bulky nature of the mol-ecule, as evidenced by the large dihedral angles between rings, there is little evidence for any ?-? inter-actions.

SUBMITTER: Prasad PR 

PROVIDER: S-EPMC4120529 | biostudies-literature | 2014 Jul

REPOSITORIES: biostudies-literature

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2-Bromo-5-tert-butyl-N-methyl-N-[2-(methyl-amino)-phen-yl]-3-(1-methyl-1H-benzimidazol-2-yl)benzamide.

Prasad Poonam Rajesh PR   Das Shikha S   Singh Harkesh B HB   Butcher Ray J RJ  

Acta crystallographica. Section E, Structure reports online 20140625 Pt 7


In the title compound, C27H29BrN4O, benzimidazole ring system and the amide moiety are planar [r.m.s. deviations = 0.016 (2) and 0.017 (1) Å, respectively]. The mol-ecule adopts a conformation in which the amide linkage is almost perpendicular to the central ring [dihedral angle = 85.79 (8)°], while the benzimidazole ring system makes a dihedral angle of 70.26 (11)° with the central ring. In the crystal, the mol-ecules form dimers through N-H⋯O hydrogen bonds and C-H⋯O interactions. These dimers  ...[more]

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