Information card for entry 2204613

Structure parameters

• Chemical name: 4-[(Z)-(4-Methoxyanilino)phenylmethylene]-5-methyl-2-phenyl-2H-pyrazol-3(4H)-one
• Formula: C24 H21 N3 O2
• Calculated formula: C24 H21 N3 O2
• SMILES: O=C1N(N=C(/C1=C(/Nc1ccc(OC)cc1)c1ccccc1)C)c1ccccc1
• Title of publication: 4-[(<i>Z</i>)-(4-Methoxyanilino)phenylmethylene]-5-methyl-2-phenyl-2<i>H</i>-pyrazol-3(4<i>H</i>)-one
• Authors of publication: Bao, Feng Bao; Lü, Xing-Qiang; Qiao, Yu-Qin; Wu, Qing; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2191 - o2192
• a: 6.8262 ± 0.0009 Å
• b: 10.951 ± 0.001 Å
• c: 14.761 ± 0.001 Å
• α: 97.259 ± 0.002°
• β: 103.386 ± 0.002°
• γ: 106.018 ± 0.002°
• Cell volume: 1010.21 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes