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4-[(E)-(4-Hy­droxy-2-oxo-2H-chromen-3-yl)methyl­idene­amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one monohydrate

In the title compound, C(21)H(17)N(3)O(4)·H(2)O, the coumarin ring system is almost planar (r.m.s. deviation = 0.002 Å) and makes dihedral angles of 1.50 (7) and 57.75 (7)° with the pyrazole and phenyl rings, respectively. The dihedral angle between the pyrazole and phenyl rings is 56.60 (9)°. The p...

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Autores principales: Asad, Mohammad, Oo, Chuan-Wei, Osman, Hasnah, Quah, Ching Kheng, Fun, Hoong-Kun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983131/
https://www.ncbi.nlm.nih.gov/pubmed/21587490
http://dx.doi.org/10.1107/S160053681003480X
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author Asad, Mohammad
Oo, Chuan-Wei
Osman, Hasnah
Quah, Ching Kheng
Fun, Hoong-Kun
author_facet Asad, Mohammad
Oo, Chuan-Wei
Osman, Hasnah
Quah, Ching Kheng
Fun, Hoong-Kun
author_sort Asad, Mohammad
collection PubMed
description In the title compound, C(21)H(17)N(3)O(4)·H(2)O, the coumarin ring system is almost planar (r.m.s. deviation = 0.002 Å) and makes dihedral angles of 1.50 (7) and 57.75 (7)° with the pyrazole and phenyl rings, respectively. The dihedral angle between the pyrazole and phenyl rings is 56.60 (9)°. The pyrazole ring adopts a twisted comformation. The mol­ecular conformation is stabilized by intra­molecular N—H⋯O and C—H⋯O hydrogen bonds, both of which form S(6) ring motifs. In the crystal, each water mol­ecule is linked to its adjacent organic mol­ecule via pairs of O—H⋯O hydrogen bonds. The packing is further consolidated by pairs of inter­molecular C—H⋯O hydrogen bonds, which link the mol­ecules into dimers; the dimers are stacked along the b axis.
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spelling pubmed-29831312010-12-30 4-[(E)-(4-Hy­droxy-2-oxo-2H-chromen-3-yl)methyl­idene­amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one monohydrate Asad, Mohammad Oo, Chuan-Wei Osman, Hasnah Quah, Ching Kheng Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(21)H(17)N(3)O(4)·H(2)O, the coumarin ring system is almost planar (r.m.s. deviation = 0.002 Å) and makes dihedral angles of 1.50 (7) and 57.75 (7)° with the pyrazole and phenyl rings, respectively. The dihedral angle between the pyrazole and phenyl rings is 56.60 (9)°. The pyrazole ring adopts a twisted comformation. The mol­ecular conformation is stabilized by intra­molecular N—H⋯O and C—H⋯O hydrogen bonds, both of which form S(6) ring motifs. In the crystal, each water mol­ecule is linked to its adjacent organic mol­ecule via pairs of O—H⋯O hydrogen bonds. The packing is further consolidated by pairs of inter­molecular C—H⋯O hydrogen bonds, which link the mol­ecules into dimers; the dimers are stacked along the b axis. International Union of Crystallography 2010-09-04 /pmc/articles/PMC2983131/ /pubmed/21587490 http://dx.doi.org/10.1107/S160053681003480X Text en © Asad et al. 2010 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
Asad, Mohammad
Oo, Chuan-Wei
Osman, Hasnah
Quah, Ching Kheng
Fun, Hoong-Kun
4-[(E)-(4-Hy­droxy-2-oxo-2H-chromen-3-yl)methyl­idene­amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one monohydrate
title 4-[(E)-(4-Hy­droxy-2-oxo-2H-chromen-3-yl)methyl­idene­amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one monohydrate
title_full 4-[(E)-(4-Hy­droxy-2-oxo-2H-chromen-3-yl)methyl­idene­amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one monohydrate
title_fullStr 4-[(E)-(4-Hy­droxy-2-oxo-2H-chromen-3-yl)methyl­idene­amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one monohydrate
title_full_unstemmed 4-[(E)-(4-Hy­droxy-2-oxo-2H-chromen-3-yl)methyl­idene­amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one monohydrate
title_short 4-[(E)-(4-Hy­droxy-2-oxo-2H-chromen-3-yl)methyl­idene­amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one monohydrate
title_sort 4-[(e)-(4-hy­droxy-2-oxo-2h-chromen-3-yl)methyl­idene­amino]-1,5-dimethyl-2-phenyl-1h-pyrazol-3(2h)-one monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983131/
https://www.ncbi.nlm.nih.gov/pubmed/21587490
http://dx.doi.org/10.1107/S160053681003480X
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