Information card for entry 2208142

Structure parameters

• Chemical name: 1,5-Dimethyl-4-(3-nitrobenzylideneamino)-2-phenylpyrazolidin-3-one
• Formula: C18 H16 N4 O3
• Calculated formula: C18 H16 N4 O3
• SMILES: O=N(=O)c1cccc(c1)/C=N/C1C(=O)N(N(C=1C)C)c1ccccc1
• Title of publication: 1,5-Dimethyl-4-(3-nitrobenzylideneamino)-2-phenylpyrazolidin-3-one
• Authors of publication: Zheng, Chun-Sheng; Li, Mei; Yang, Nan; Jing, Zuo-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o755 - o756
• a: 7.645 ± 0.011 Å
• b: 7.839 ± 0.011 Å
• c: 28.24 ± 0.04 Å
• α: 90°
• β: 96.349 ± 0.019°
• γ: 90°
• Cell volume: 1682 ± 4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0972
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1807
• Weighted residual factors for all reflections included in the refinement: 0.2246
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes