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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 |
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. |
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