TY - JOUR
T1 - Ethyl 2-[4-(morpholin-4-yl)phenyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1 H-1,3-benzimidazole-5-carboxylate monohydrate
AU - Yoon, Yeong Keng
AU - Ali, Mohamed Ashraf
AU - Choon, Tan Soo
AU - Arshad, Suhana
AU - Razak, Ibrahim Abdul
N1 - Copyright:
Copyright 2013 Elsevier B.V., All rights reserved.
PY - 2012/10
Y1 - 2012/10
N2 - 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.
AB - 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.
UR - https://www.scopus.com/pages/publications/84867191131
U2 - 10.1107/S1600536812039268
DO - 10.1107/S1600536812039268
M3 - Article
AN - SCOPUS:84867191131
SN - 1600-5368
VL - 68
SP - o2967-o2968
JO - Acta Crystallographica Section E: Structure Reports Online
JF - Acta Crystallographica Section E: Structure Reports Online
IS - 10
ER -