Information card for entry 2219700

Structure parameters

• Chemical name: 5-Methyl-2-phenyl-2<i>H</i>-pyrazol-3-ol
• Formula: C10 H10 N2 O
• Calculated formula: C10 H10 N2 O
• SMILES: O=C1N(NC(=C1)C)c1ccccc1.Oc1n(nc(c1)C)c1ccccc1
• Title of publication: 5-Methyl-2-phenyl-2<i>H</i>-pyrazol-3-ol
• Authors of publication: Wang, Qiang; Zhang, Yi; Wang, Rong; Yang, Yi-Lin; Zhi, Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1924
• a: 10.336 ± 0.002 Å
• b: 11.154 ± 0.002 Å
• c: 15.863 ± 0.003 Å
• α: 90°
• β: 95.157 ± 0.003°
• γ: 90°
• Cell volume: 1821.4 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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 all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes