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Ethyl 2-[5-(4-fluoro-phen-yl)pyridin-3-yl]-1-[3-(2-oxopyrrolidin-1-yl)prop-yl]-1H-benzimidazole-5-carboxyl-ate.

ABSTRACT: In the title compound, C28H27FN4O3·H2O, the benzimidazole ring system is essentially planar with a maximum deviation of 0.028?(1)?Å. It makes dihedral angles of 47.59?(5) and 60.31?(5)°, respectively, with the pyridine and benzene rings, which make a dihedral angle of 22.58?(6)° with each other. The pyrrolidine ring shows an envelope conformation with one of the methyl-ene C atoms as the flap. In the crystal, the components are connected into a tape along the b-axis direction through O-H?O and O-H?N hydrogen bonds and a ?-? inter-action between the pyridine and benzene rings [centroid-centroid distance of 3.685?(8)?Å]. The tapes are further linked into layers parallel to the ab plane by C-H?O and C-H?F inter-actions.

SUBMITTER: Yeong KY

PROVIDER: S-EPMC3772454 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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Ethyl 2-[5-(4-fluoro-phen-yl)pyridin-3-yl]-1-[3-(2-oxopyrrolidin-1-yl)prop-yl]-1H-benzimidazole-5-carboxyl-ate.

Yeong Keng Yoon KY Ali Mohamed Ashraf MA Choon Tan Soo TS Rosli Mohd Mustaqim MM Razak Ibrahim Abdul IA

Acta crystallographica. Section E, Structure reports online 20130608 Pt 7

In the title compound, C28H27FN4O3·H2O, the benzimidazole ring system is essentially planar with a maximum deviation of 0.028 (1) Å. It makes dihedral angles of 47.59 (5) and 60.31 (5)°, respectively, with the pyridine and benzene rings, which make a dihedral angle of 22.58 (6)° with each other. The pyrrolidine ring shows an envelope conformation with one of the methyl-ene C atoms as the flap. In the crystal, the components are connected into a tape along the b-axis direction through O-H⋯O and O ...[more]

PMID: 24046597

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