Information card for entry 2203236

Structure parameters

• Chemical name: 5-Methyl-2-phenyl-4-[(Z)-(2-tolylamino)phenylmethylene]pyrazol-3(2H)-one
• Formula: C24 H21 N3 O
• Calculated formula: C24 H21 N3 O
• SMILES: O=C1N(N=C(/C1=C(/Nc1ccccc1C)c1ccccc1)C)c1ccccc1
• Title of publication: 5-Methyl-2-phenyl-4-[(<i>Z</i>)-(2-tolylamino)phenylmethylene]pyrazol-3(2<i>H</i>)-one
• Authors of publication: Bao, Feng; Lü, Xingqiang; Wu, Qing; Kang, Beisheng; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: o155 - o156
• a: 9.792 ± 0.001 Å
• b: 9.832 ± 0.001 Å
• c: 11.556 ± 0.002 Å
• α: 101.56 ± 0.002°
• β: 99.974 ± 0.002°
• γ: 108.034 ± 0.002°
• Cell volume: 1002.8 ± 0.2 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: 0.071
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes