Information card for entry 8106850

Structure parameters

• Formula: C23 H21 N3 O2
• Calculated formula: C23 H21 N3 O2
• Title of publication: Crystal structure of (Z)-4-(furan-2-yl(p-tolylamino)methylene)-3-methyl-1-p-tolyl-1H-pyrazol-5(4H)-one, C23H21N3O2
• Authors of publication: Zhang, Bao-Qi; Zhang, Lin; Zhang, Heng-Qiang; Zhao, Cheng-Liang; Chen, Bin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 1
• Pages of publication: 281 - 283
• a: 10.305 ± 0.003 Å
• b: 10.4528 ± 0.0016 Å
• c: 10.6351 ± 0.0017 Å
• α: 113.368 ± 0.003°
• β: 101.139 ± 0.004°
• γ: 101.31 ± 0.004°
• Cell volume: 983.4 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1185
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No