1-[5-Acetyl-2,6-dimethyl-4-(5-phenyl-1H-pyrazol-3-yl)-1, 4-dihydropyridin-3-yl]ethanone monohydrate
| dc.contributor.author | Islor, A.M. | |
| dc.contributor.author | Malladi, S. | |
| dc.contributor.author | Sundershan, S. | |
| dc.contributor.author | Gerber, T. | |
| dc.contributor.author | Hosten, E. | |
| dc.contributor.author | Betz, R. | |
| dc.date.accessioned | 2026-02-05T09:35:08Z | |
| dc.date.issued | 2012 | |
| dc.description.abstract | In the title compound, C<inf>2</inf>0H<inf>2</inf>1N<inf>3</inf>O <inf>2</inf>·H<inf>2</inf>O, the aza-substitued six-membered ring adopts a L4 B conformation. In the crystal, classical N-H?O, N-H?N and O-H?O hydrogen bonds connect the entities into a three-dimensional network. Intramolecular C-H?O contacts are also observed. | |
| dc.identifier.citation | Acta Crystallographica Section E: Structure Reports Online, 2012, 68, 11, pp. o3156-o3157 | |
| dc.identifier.issn | 16005368 | |
| dc.identifier.uri | https://doi.org/10.1107/S1600536812042614 | |
| dc.identifier.uri | https://idr.nitk.ac.in/handle/123456789/26940 | |
| dc.subject | data-to-parameter ratio = 17.9 | |
| 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 = 0.114 | |
| dc.title | 1-[5-Acetyl-2,6-dimethyl-4-(5-phenyl-1H-pyrazol-3-yl)-1, 4-dihydropyridin-3-yl]ethanone monohydrate |