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

In the title compound, C(21)H(23)N(3)O(4)S·H(2)O, 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 E (4) conformation. In the crystal, classical O—H⋯N, O—H⋯O and N—H⋯O hydrogen bonds, as well...

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Detalles Bibliográficos
Autores principales: Islor, Arun M., Vijesh, A. M., Gerber, Thomas, Hosten, Eric, Betz, Richard
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588844/
https://www.ncbi.nlm.nih.gov/pubmed/23468809
http://dx.doi.org/10.1107/S1600536812045333
Descripción
Sumario:In the title compound, C(21)H(23)N(3)O(4)S·H(2)O, 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 E (4) 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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