Information card for entry 8101766

Structure parameters

• Chemical name: 4-{[1-(4-dimethylaminophenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2- dihydropyrazol-3-one
• Formula: C20 H22 N4 O
• Calculated formula: C20 H22 N4 O
• SMILES: O=C1N(N(C(=C1/N=C/c1ccc(N(C)C)cc1)C)C)c1ccccc1
• Title of publication: Crystal structure of 4-{[1-(4-dimethylaminophenyl)-methylidene]amino}- 1,5-dimethyl-2-phenyl-1,2-dihydropyrazol-3-one, C~20~H~22~N~4~O
• Authors of publication: X.-L. Zhang; Z.-X. Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 2
• Pages of publication: 263 - 264
• a: 17.875 ± 0.004 Å
• b: 6.8775 ± 0.0016 Å
• c: 29.747 ± 0.007 Å
• α: 90°
• β: 101.01 ± 0.004°
• γ: 90°
• Cell volume: 3589.6 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1197
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No