Dimethyl 2,6-dimethyl-4-{3-[4-(methylsulfanyl)phenyl]-1H-pyrazol-4-yl}-1,4- dihydropyridine-3,5-dicarboxylate monohydrate
| dc.contributor.author | Islor, A.M. | |
| dc.contributor.author | Vijesh, A.M. | |
| dc.contributor.author | Gerber, T. | |
| dc.contributor.author | Hosten, E. | |
| dc.contributor.author | Betz, R. | |
| dc.date.accessioned | 2026-02-05T09:35:06Z | |
| dc.date.issued | 2012 | |
| dc.description.abstract | In the title compound, C21H23N3O4S·H<inf>2</inf>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. | |
| dc.identifier.citation | Acta Crystallographica Section E: Structure Reports Online, 2012, 68, 12, pp. o3302-o3303 | |
| dc.identifier.issn | 16005368 | |
| dc.identifier.uri | https://doi.org/10.1107/S1600536812045333 | |
| dc.identifier.uri | https://idr.nitk.ac.in/handle/123456789/26923 | |
| dc.subject | data-to-parameter ratio = 16.9 | |
| dc.subject | disorder in main residue | |
| dc.subject | mean ?(C-C) = 0.002 Å | |
| dc.subject | R factor = 0.040 | |
| dc.subject | single-crystal X-ray study | |
| dc.subject | T = 200 K | |
| dc.subject | wR factor = 0.111 | |
| dc.title | Dimethyl 2,6-dimethyl-4-{3-[4-(methylsulfanyl)phenyl]-1H-pyrazol-4-yl}-1,4- dihydropyridine-3,5-dicarboxylate monohydrate |