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

ABSTRACT: 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, inter-molecular O-H?O and O-H?N hydrogen bonds connect the components into chains along [010]. The crystal structure is further stabilized by ?-? stacking inter-actions with centroid-centroid distances of 3.7730?(12)?Å.

SUBMITTER: Kargar H

PROVIDER: S-EPMC3050153 | biostudies-literature | 2010 Dec

REPOSITORIES: biostudies-literature

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

Kargar Hadi H Kia Reza R Froozandeh Fatemeh F Hossaini Sadr Moayad M Tahir Muhammad Nawaz MN

Acta crystallographica. Section E, Structure reports online 20101224 Pt 1

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, inter-molecular 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 inter-action ...[more]

PMID: 21522709

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