(5-Hy­droxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-4-yl)methanone monohydrate

In the title compound, C(16)H(15)N(3)O(2)·H(2)O, the mean plane of the approximately planar pyrazole ring [maximum deviation = 0.0474 (18) Å] makes dihedral angles of 86.32 (11) and 45.04 (10)° with the phenyl and pyridine rings, respectively. The dihedral angle between the phenyl and pyridine rings...

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Autores principales: Kargar, Hadi, Kia, Reza, Froozandeh, Fatemeh, Hossaini Sadr, Moayad, Tahir, Muhammad Nawaz
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050153/
https://www.ncbi.nlm.nih.gov/pubmed/21522709
http://dx.doi.org/10.1107/S160053681005275X
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author Kargar, Hadi
Kia, Reza
Froozandeh, Fatemeh
Hossaini Sadr, Moayad
Tahir, Muhammad Nawaz
author_facet Kargar, Hadi
Kia, Reza
Froozandeh, Fatemeh
Hossaini Sadr, Moayad
Tahir, Muhammad Nawaz
author_sort Kargar, Hadi
collection PubMed
description In the title compound, C(16)H(15)N(3)O(2)·H(2)O, the mean plane of the approximately planar pyrazole ring [maximum deviation = 0.0474 (18) Å] makes dihedral angles of 86.32 (11) and 45.04 (10)° with the phenyl and pyridine rings, respectively. The dihedral angle between the phenyl and pyridine rings is 69.62 (11)°. In the crystal, inter­molecular O—H⋯O and O—H⋯N hydrogen bonds connect the components into chains along [010]. The crystal structure is further stabilized by π–π stacking inter­actions with centroid–centroid distances of 3.7730 (12) Å.
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spelling pubmed-30501532011-04-26 (5-Hy­droxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-4-yl)methanone monohydrate Kargar, Hadi Kia, Reza Froozandeh, Fatemeh Hossaini Sadr, Moayad Tahir, Muhammad Nawaz Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(16)H(15)N(3)O(2)·H(2)O, the mean plane of the approximately planar pyrazole ring [maximum deviation = 0.0474 (18) Å] makes dihedral angles of 86.32 (11) and 45.04 (10)° with the phenyl and pyridine rings, respectively. The dihedral angle between the phenyl and pyridine rings is 69.62 (11)°. In the crystal, inter­molecular O—H⋯O and O—H⋯N hydrogen bonds connect the components into chains along [010]. The crystal structure is further stabilized by π–π stacking inter­actions with centroid–centroid distances of 3.7730 (12) Å. International Union of Crystallography 2010-12-24 /pmc/articles/PMC3050153/ /pubmed/21522709 http://dx.doi.org/10.1107/S160053681005275X Text en © Kargar et al. 2011 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
Kargar, Hadi
Kia, Reza
Froozandeh, Fatemeh
Hossaini Sadr, Moayad
Tahir, Muhammad Nawaz
(5-Hy­droxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-4-yl)methanone monohydrate
title (5-Hy­droxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-4-yl)methanone monohydrate
title_full (5-Hy­droxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-4-yl)methanone monohydrate
title_fullStr (5-Hy­droxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-4-yl)methanone monohydrate
title_full_unstemmed (5-Hy­droxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-4-yl)methanone monohydrate
title_short (5-Hy­droxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-4-yl)methanone monohydrate
title_sort (5-hy­droxy-3-methyl-5-phenyl-4,5-dihydro-1h-pyrazol-1-yl)(pyridin-4-yl)methanone monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050153/
https://www.ncbi.nlm.nih.gov/pubmed/21522709
http://dx.doi.org/10.1107/S160053681005275X
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AT hossainisadrmoayad 5hydroxy3methyl5phenyl45dihydro1hpyrazol1ylpyridin4ylmethanonemonohydrate
AT tahirmuhammadnawaz 5hydroxy3methyl5phenyl45dihydro1hpyrazol1ylpyridin4ylmethanonemonohydrate

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