Ethyl 2-[4-(morpholin-4-yl)phenyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1 H-1,3-benzimidazole-5-carboxylate monohydrate

Abstract

The asymmetric unit of the title compound, C27H 32N4O4·H2O, contains two independent benzimidazole-5-carboxylate molecules and two water molecules. In both main molecules, the pyrrolidine rings are in an envelope conformation with a methylene 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 molecule, an intramolecular 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 molecules and pairs of water molecules into two independent centro-symmetric 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···φ interactions.