Information card for entry 2209067

Structure parameters

• Chemical name: 3-Phenyl-1-(2-pyridyl)-1H-pyrazol-5-ol
• Formula: C14 H11 N3 O
• Calculated formula: C14 H11 N3 O
• SMILES: c1(cc(c2ccccc2)nn1c1ccccn1)O
• Title of publication: 3-Phenyl-1-(2-pyridyl)-1<i>H</i>-pyrazol-5-ol
• Authors of publication: McFerrin, Cheri A.; Hammer, Robert P.; Fronczek, Frank R.; Watkins, Steven F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2518 - o2519
• a: 9.618 ± 0.002 Å
• b: 10.538 ± 0.002 Å
• c: 11.482 ± 0.003 Å
• α: 90°
• β: 104.215 ± 0.01°
• γ: 90°
• Cell volume: 1128.1 ± 0.4 ų
• Cell temperature: 120 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes