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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...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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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. |
format | Text |
id | pubmed-2983131 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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