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

Kargar H, Kia R, Froozandeh F, Hossaini Sadr M, Tahir MN - Acta Crystallogr Sect E Struct Rep Online (2010)

Bottom Line: 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-actions with centroid-centroid distances of 3.7730 (12) Å.

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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 π-π stacking inter-actions with centroid-centroid distances of 3.7730 (12) Å.

No MeSH data available.


The packing of the compound viewed along the c-axis showing 1-D extended chains along the b-axis through hydrogen bonds. All H atoms removed except those involved in the hydrogen bonds. Hydrogen bonds are shown as dashed lines.
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Fap2: The packing of the compound viewed along the c-axis showing 1-D extended chains along the b-axis through hydrogen bonds. All H atoms removed except those involved in the hydrogen bonds. Hydrogen bonds are shown as dashed lines.


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

Kargar H, Kia R, Froozandeh F, Hossaini Sadr M, Tahir MN - Acta Crystallogr Sect E Struct Rep Online (2010)

The packing of the compound viewed along the c-axis showing 1-D extended chains along the b-axis through hydrogen bonds. All H atoms removed except those involved in the hydrogen bonds. Hydrogen bonds are shown as dashed lines.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3050153&req=5

Fap2: The packing of the compound viewed along the c-axis showing 1-D extended chains along the b-axis through hydrogen bonds. All H atoms removed except those involved in the hydrogen bonds. Hydrogen bonds are shown as dashed lines.
Bottom Line: 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-actions with centroid-centroid distances of 3.7730 (12) Å.

View Article: PubMed Central - HTML - PubMed

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 π-π stacking inter-actions with centroid-centroid distances of 3.7730 (12) Å.

No MeSH data available.