Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 12 (December 2012)

organic compounds

rn2110 scheme

Acta Cryst. (2012). E68, o3302-o3303    [ doi:10.1107/S1600536812045333 ]

Dimethyl 2,6-dimethyl-4-{3-[4-(methylsulfanyl)phenyl]-1H-pyrazol-4-yl}-1,4-dihydropyridine-3,5-dicarboxylate monohydrate

A. M. Islor, A. M. Vijesh, T. Gerber, E. Hosten and R. Betz

Abstract: In the title compound, C21H23N3O4S·H2O, the methylsulfanyl group is disordered over two sets of sites with site-occupancy factors of 0.631 (11) and 0.369 (11). The dihydropyridine ring adopts an E4 conformation. In the crystal, classical O-H...N, O-H...O and N-H...O hydrogen bonds, as well as C-H...O and C-H...S contacts, connect the molecules into a three-dimensional network.

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