Information card for entry 2226544

Structure parameters

• Chemical name: 4-Methyl-5-phenyl-1<i>H</i>-pyrazol-3-ol
• Formula: C10 H10 N2 O
• Calculated formula: C10 H10 N2 O
• SMILES: Oc1n[nH]c(c2ccccc2)c1C
• Title of publication: 4-Methyl-5-phenyl-1<i>H</i>-pyrazol-3-ol
• Authors of publication: Shahani, Tara; Fun, Hoong-Kun; Ragavan, R. Venkat; Vijayakumar, V.; Sarveswari, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1697 - o1698
• a: 26.4082 ± 0.0019 Å
• b: 11.0972 ± 0.0008 Å
• c: 14.1245 ± 0.001 Å
• α: 90°
• β: 118.996 ± 0.001°
• γ: 90°
• Cell volume: 3620.4 ± 0.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1139
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1712
• Weighted residual factors for all reflections included in the refinement: 0.2042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes