Information card for entry 2207799

Structure parameters

• Chemical name: 5-(4-Chlorophenyl)-1-phenylpyrazolidin-3-one
• Formula: C15 H13 Cl N2 O
• Calculated formula: C15 H13 Cl N2 O
• SMILES: Clc1ccc(C2N(NC(=O)C2)c2ccccc2)cc1
• Title of publication: 5-(4-Chlorophenyl)-1-phenylpyrazolidin-3-one
• Authors of publication: Shi, Hong; Zhu, Hong-Jun; Wang, Jin-Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o233 - o235
• a: 11.826 ± 0.002 Å
• b: 10.227 ± 0.002 Å
• c: 12.867 ± 0.003 Å
• α: 90°
• β: 115.74 ± 0.03°
• γ: 90°
• Cell volume: 1401.8 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1266
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes