1-[5-Acetyl-2,6-dimethyl-4-(5-phenyl-1H-pyrazol-3-yl)-1,4-dihydro­pyridin-3-yl]ethanone monohydrate

In the title compound, C(20)H(21)N(3)O(2)·H(2)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....

Descripción completa

Detalles Bibliográficos
Autores principales: Islor, Arun M., Malladi, Shridhar, Sundershan, S., 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/PMC3515252/
https://www.ncbi.nlm.nih.gov/pubmed/23284472
http://dx.doi.org/10.1107/S1600536812042614
_version_ 1782252144120823808
author Islor, Arun M.
Malladi, Shridhar
Sundershan, S.
Gerber, Thomas
Hosten, Eric
Betz, Richard
author_facet Islor, Arun M.
Malladi, Shridhar
Sundershan, S.
Gerber, Thomas
Hosten, Eric
Betz, Richard
author_sort Islor, Arun M.
collection PubMed
description In the title compound, C(20)H(21)N(3)O(2)·H(2)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.
format Online
Article
Text
id pubmed-3515252
institution National Center for Biotechnology Information
language English
publishDate 2012
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-35152522013-01-02 1-[5-Acetyl-2,6-dimethyl-4-(5-phenyl-1H-pyrazol-3-yl)-1,4-dihydro­pyridin-3-yl]ethanone monohydrate Islor, Arun M. Malladi, Shridhar Sundershan, S. Gerber, Thomas Hosten, Eric Betz, Richard Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(20)H(21)N(3)O(2)·H(2)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. International Union of Crystallography 2012-10-20 /pmc/articles/PMC3515252/ /pubmed/23284472 http://dx.doi.org/10.1107/S1600536812042614 Text en © Islor et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Islor, Arun M.
Malladi, Shridhar
Sundershan, S.
Gerber, Thomas
Hosten, Eric
Betz, Richard
1-[5-Acetyl-2,6-dimethyl-4-(5-phenyl-1H-pyrazol-3-yl)-1,4-dihydro­pyridin-3-yl]ethanone monohydrate
title 1-[5-Acetyl-2,6-dimethyl-4-(5-phenyl-1H-pyrazol-3-yl)-1,4-dihydro­pyridin-3-yl]ethanone monohydrate
title_full 1-[5-Acetyl-2,6-dimethyl-4-(5-phenyl-1H-pyrazol-3-yl)-1,4-dihydro­pyridin-3-yl]ethanone monohydrate
title_fullStr 1-[5-Acetyl-2,6-dimethyl-4-(5-phenyl-1H-pyrazol-3-yl)-1,4-dihydro­pyridin-3-yl]ethanone monohydrate
title_full_unstemmed 1-[5-Acetyl-2,6-dimethyl-4-(5-phenyl-1H-pyrazol-3-yl)-1,4-dihydro­pyridin-3-yl]ethanone monohydrate
title_short 1-[5-Acetyl-2,6-dimethyl-4-(5-phenyl-1H-pyrazol-3-yl)-1,4-dihydro­pyridin-3-yl]ethanone monohydrate
title_sort 1-[5-acetyl-2,6-dimethyl-4-(5-phenyl-1h-pyrazol-3-yl)-1,4-dihydro­pyridin-3-yl]ethanone monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3515252/
https://www.ncbi.nlm.nih.gov/pubmed/23284472
http://dx.doi.org/10.1107/S1600536812042614
work_keys_str_mv AT islorarunm 15acetyl26dimethyl45phenyl1hpyrazol3yl14dihydropyridin3ylethanonemonohydrate
AT malladishridhar 15acetyl26dimethyl45phenyl1hpyrazol3yl14dihydropyridin3ylethanonemonohydrate
AT sundershans 15acetyl26dimethyl45phenyl1hpyrazol3yl14dihydropyridin3ylethanonemonohydrate
AT gerberthomas 15acetyl26dimethyl45phenyl1hpyrazol3yl14dihydropyridin3ylethanonemonohydrate
AT hosteneric 15acetyl26dimethyl45phenyl1hpyrazol3yl14dihydropyridin3ylethanonemonohydrate
AT betzrichard 15acetyl26dimethyl45phenyl1hpyrazol3yl14dihydropyridin3ylethanonemonohydrate

Ejemplares similares