Information card for entry 2224657

Structure parameters

• Chemical name: 1-(4-Chlorophenyl)-1<i>H</i>-pyrazol-3-ol
• Formula: C9 H7 Cl N2 O
• Calculated formula: C9 H7 Cl N2 O
• SMILES: Clc1ccc(n2nc(O)cc2)cc1
• Title of publication: 1-(4-Chlorophenyl)-1<i>H</i>-pyrazol-3-ol
• Authors of publication: Ren, Xiao-Yan; Wang, Jian-Gang; Li, Yun-Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o186
• a: 9.6461 ± 0.0019 Å
• b: 13.833 ± 0.003 Å
• c: 6.5045 ± 0.0013 Å
• α: 90°
• β: 94.33 ± 0.03°
• γ: 90°
• Cell volume: 865.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.065
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1441
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.237
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes