Information card for entry 2226572

Structure parameters

• Chemical name: 4-{[4-(Dimethylamino)benzylidene]amino}-1,5-dimethyl-2-phenyl- 1<i>H</i>-pyrazol-3(2<i>H</i>)-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: 4-{[4-(Dimethylamino)benzylidene]amino}-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one
• Authors of publication: Asiri, Abdullah M.; Khan, Salman A.; Tan, Kong Wai; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1751
• a: 17.7275 ± 0.0014 Å
• b: 6.7552 ± 0.0006 Å
• c: 29.387 ± 0.002 Å
• α: 90°
• β: 101.426 ± 0.001°
• γ: 90°
• Cell volume: 3449.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0567
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes