Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 3 (March 2013)


organic compounds



su2546 scheme

Acta Cryst. (2013). E69, o389    [ doi:10.1107/S1600536813004108 ]

Diethyl 2,6-dimethyl-4-[4-(3-phenylacryloyloxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate hemihydrate

P. Sharmila, C. Suresh Kumar, K. Ananth, S. Narasimhan and S. Aravindhan

Abstract: In the title ester derivative, C28H29NO6·0.5H2O, the 1,4-dihydropyridine 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, molecules are bridged via O-H...O hydrogen bonds involving the partially occupied water molecule, and this arrangement is strengthened by a pair of N-H...O hydrogen bonds and C-H...O interactions. 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).


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