Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 3 (March 2013)

organic compounds

 

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-HO hydrogen bonds involving the partially occupied water molecule, and this arrangement is strengthened by a pair of N-HO hydrogen bonds and C-HO 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).

	Hyper-Text Markup Language (HTML) file [ doi:10.1107/S1600536813004108/su2546sup0.html ] Supplementary materials
	Chemical Markup Language (CML) file (9.7 kbytes) [ doi:10.1107/S1600536813004108/su2546Isup3.cml ] Supplementary material

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