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

ABSTRACT: The asymmetric unit of the title compound, C(27)H(32)N(4)O(4)·H(2)O, contains two independent benzimidazole-5-carboxyl-ate mol-ecules and two water mol-ecules. In both main mol-ecules, the pyrrolidine rings are in an envelope conformation with a methyl-ene C atom as the flap. The morpholine rings adopt chair conformations. Both benzimidazole rings are essentially planar, with maximum deviations of 0.008?(1)?Å, and form dihedral angles of 37.65?(6) and 45.44?(6)° with the benzene rings. In one mol-ecule, an intra-molecular C-H?O hydrogen bond forms an S(7) ring motif. In the crystal, O-H?O and O-H?N hydrogen bonds connect pairs of main mol-ecules and pairs of water mol-ecules into two independent centrosymmetric four-compoment aggregates. These aggregates are connect by C-H?O hydrogen bonds leading to the formation of a three-dimensional network, which is stabilized by C-H?? interactions.

SUBMITTER: Yoon YK 

PROVIDER: S-EPMC3470336 | biostudies-literature | 2012 Oct

REPOSITORIES: biostudies-literature