Information card for entry 2226556

Structure parameters

• Chemical name: 4-[(9-Ethyl-9<i>H</i>-carbazol-3-yl)methylideneamino]-1,5-dimethyl- 2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one
• Formula: C26 H24 N4 O
• Calculated formula: C26 H24 N4 O
• SMILES: O=C1N(N(C(=C1/N=C/c1cc2c3c(n(c2cc1)CC)cccc3)C)C)c1ccccc1
• Title of publication: 4-[(9-Ethyl-9<i>H</i>-carbazol-3-yl)methylideneamino]-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: o1782
• a: 10.4458 ± 0.0006 Å
• b: 18.2674 ± 0.0011 Å
• c: 10.8989 ± 0.0006 Å
• α: 90°
• β: 96.127 ± 0.001°
• γ: 90°
• Cell volume: 2067.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1039
• 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