Information card for entry 2201360

Structure parameters

• Chemical name: 4-[(2-Hydroxyphenylamino)phenylmethylene]-5-methyl-2-phenyl-2H-pyrazol-3(4H)- one
• Formula: C23 H19 N3 O2
• Calculated formula: C23 H19 N3 O2
• SMILES: O=C1N(N=C(C1=C(Nc1c(O)cccc1)c1ccccc1)C)c1ccccc1
• Title of publication: 4-[(2-Hydroxyphenylamino)phenylmethylene]-5-methyl-2-phenyl-2<i>H</i>-pyrazol-3(4<i>H</i>)-one
• Authors of publication: Jin-Ling Wang; Shu-Ming Zhang; Fang-Ming Miao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 12
• Pages of publication: o1365 - o1366
• a: 7.267 ± 0.004 Å
• b: 11.15 ± 0.006 Å
• c: 13.822 ± 0.008 Å
• α: 111.794 ± 0.009°
• β: 92.21 ± 0.011°
• γ: 105.987 ± 0.01°
• Cell volume: 987.2 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0989
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes