Information card for entry 2231874

Structure parameters

• Chemical name: 4-[(<i>E</i>)-(4-Diethylamino-2-hydroxybenzylidene)amino]-1,5-dimethyl- 2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one
• Formula: C22 H26 N4 O2
• Calculated formula: C22 H26 N4 O2
• SMILES: CCN(c1ccc(c(c1)O)/C=N/c1c(C)n(n(c1=O)c1ccccc1)C)CC
• Title of publication: 4-[(<i>E</i>)-(4-Diethylamino-2-hydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one
• Authors of publication: Manvizhi, K.; Chakkaravarthi, G.; Anbalagan, G.; Rajagopal, G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2692
• a: 17.2794 ± 0.0006 Å
• b: 7.1853 ± 0.0003 Å
• c: 32.9711 ± 0.0012 Å
• α: 90°
• β: 101.652 ± 0.001°
• γ: 90°
• Cell volume: 4009.3 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0691
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes