Information card for entry 8105741

Structure parameters

• Formula: C28 H23 N3 O2
• Calculated formula: C28 H23 N3 O2
• SMILES: c1(ccc(cc1)C)N1C(=O)/C(C(=N1)c1ccccc1)=C(\Nc1ccc(cc1)C)c1ccco1
• Title of publication: Crystal structure of (Z)-4-[(p-tolylamino)(furan-2-yl)methylene]-3-phenyl-1-1-p-tolyl-1H-phenyl-1H-pyrazol-5(4H)-one, C28H23N3O2
• Authors of publication: Wei, Wei; Wu, Qiong; Jin, Tong-Yin; Zhang, Ya-Zhai; Xuan, Zhao-Kun; Zhang, Heng-Qiang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 4
• Pages of publication: 527 - 529
• a: 7.659 ± 0.0007 Å
• b: 11.8598 ± 0.0012 Å
• c: 12.4954 ± 0.0014 Å
• α: 92.027 ± 0.009°
• β: 99.837 ± 0.009°
• γ: 93.597 ± 0.008°
• Cell volume: 1114.9 ± 0.2 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: 0.0813
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No