biostudies-literatureUnknown68(Pt 12)Islor AMIn the title compound, C21H23N3O4S·H2O, the methyl-sulfanyl group is disordered over two sets of sites with site-occupancy factors of 0.631 (11) and 0.369 (11). The dihydro-pyridine 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 mol-ecules into a three-dimensional network.Acta crystallographica. Section E, Structure reports onlineo3302-3https://www.ebi.ac.uk/biostudies/studies/S-EPMC3588844biostudies-literatureDimethyl 2,6-dimethyl-4-{3-[4-(methyl-sulfan-yl)phen-yl]-1H-pyrazol-4-yl}-1,4-dihydro-pyridine-3,5-dicarboxyl-ate monohydrate.PMC3588844Hosten EVijesh AMIslor AMGerber TBetz RfalseDimethyl 2,6-dimethyl-4-{3-[4-(methyl-sulfan-yl)phen-yl]-1H-pyrazol-4-yl}-1,4-dihydro-pyridine-3,5-dicarboxyl-ate monohydrate.In the title compound, C21H23N3O4S·H2O, the methyl-sulfanyl group is disordered over two sets of sites with site-occupancy factors of 0.631 (11) and 0.369 (11). The dihydro-pyridine 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 mol-ecules into a three-dimensional network.2012-01-01T00:00:00Z2012 Dec2025-04-21T23:40:12.378Z2019-03-27T01:05:39ZS-EPMC35888442346880910.1107/S1600536812045333