Information card for entry 2214744

Structure parameters

• Common name: 5-(3,4-dimethoxyphenyl)-1-p-tolylpyrazolidin-3-one
• Chemical name: 5-(3,4-Dimethoxyphenyl)-1-(4-methylphenyl)pyrazolidin-3-one
• Formula: C18 H20 N2 O3
• Calculated formula: C18 H20 N2 O3
• SMILES: O(C)c1ccc(cc1OC)C1N(NC(=O)C1)c1ccc(cc1)C
• Title of publication: 5-(3,4-Dimethoxyphenyl)-1-(4-methylphenyl)pyrazolidin-3-one
• Authors of publication: Yong-Feng Sun; Hong-Sheng Jia; Shan Liu; Zhong-Hua Luo; Hong-Jun Zhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3657 - o3657
• a: 9.429 ± 0.0019 Å
• b: 10.107 ± 0.002 Å
• c: 10.848 ± 0.002 Å
• α: 96.5 ± 0.03°
• β: 111.6 ± 0.03°
• γ: 114.43 ± 0.03°
• Cell volume: 831 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1058
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.1869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes