Diethyl 2,6-dimethyl-4-[4-(3-phenyl-acrylo-yloxy)phen-yl]-1,4-dihydro-pyridine-3,5-dicarboxyl-ate hemihydrate.

ABSTRACT: In the title ester derivative, C28H29NO6·0.5H2O, the 1,4-dihydro-pyridine ring has a flattened boat conformation. The mean plane is almost perpendicular to the attached benzene ring, making a dihedral angle of 86.87?(9)°. The terminal phenyl ring is inclined to the central benzene ring by 67.56?(12)°. In the crystal, mol-ecules are bridged via O-H?O hydrogen bonds involving the partially occupied water mol-ecule, and this arrangement is strengthened by a pair of N-H?O hydrogen bonds and C-H?O inter-actions. The ethyl atoms of one of the ethyl ester groups are disordered over two sites with an occupancy ratio of 0.716?(5):0.284?(5).

SUBMITTER: Sharmila P 

PROVIDER: S-EPMC3588479 | biostudies-literature | 2013 Mar

REPOSITORIES: biostudies-literature