Information card for entry 2206279

Structure parameters

• Chemical name: 4-[(4-Hydroxy-3-methoxybenzylidene)amino]-1,5-dimethyl-2-phenylpyrazolidin- 3-one
• Formula: C19 H19 N3 O3
• Calculated formula: C19 H19 N3 O3
• SMILES: O=C1N(N(C)C(C)=C1/N=C/c1cc(OC)c(O)cc1)c1ccccc1
• Title of publication: 4-[(4-Hydroxy-3-methoxybenzylidene)amino]-1,5-dimethyl-2-phenylpyrazolidin-3-one
• Authors of publication: Chun-Hua Diao; Zhi Fan; Ming Yu; Xin Chen; Zuo-Liang Jing; Qi-Liang Deng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2322 - o2323
• a: 11.795 ± 0.002 Å
• b: 16.976 ± 0.002 Å
• c: 8.7656 ± 0.0014 Å
• α: 90°
• β: 99.764 ± 0.003°
• γ: 90°
• Cell volume: 1729.7 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes