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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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Detalles Bibliográficos
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
Descripción
Sumario: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.