Information card for entry 2211736

Structure parameters

• Chemical name: 4-[(2-Methoxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazolidin-3(2H)-one
• Formula: C19 H19 N3 O2
• Calculated formula: C19 H19 N3 O2
• SMILES: N1(N(C(=C(/N=C/c2c(OC)cccc2)C1=O)C)C)c1ccccc1
• Title of publication: 4-[(2-Methoxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazolidin-3(2<i>H</i>)-one
• Authors of publication: Li, Zong-Xiao; Zhang, Xin-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o357 - o358
• a: 6.841 ± 0.003 Å
• b: 14.021 ± 0.006 Å
• c: 17.886 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1715.6 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes