Information card for entry 7239057

Structure parameters

• Chemical name: (4Z)-4-(2-(imidazolidin-2-ylidene)-3-oxo-3-phenylpropylidene) -3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
• Formula: C22 H20 N4 O2
• Calculated formula: C22 H20 N4 O2
• Title of publication: Three component solvent-free synthesis of 1H-pyrazol-5(4H)-one-based heterocyclic ketene aminal derivatives
• Authors of publication: Yu, Fuchao; Chen, Zhiqiong; Hao, Xiaopan; Jiang, Xiuyang; Yan, Shengjiao; Lin, Jun
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 32
• Pages of publication: 13183
• a: 21.059 ± 0.003 Å
• b: 11.2828 ± 0.0016 Å
• c: 15.679 ± 0.002 Å
• α: 90°
• β: 95.888 ± 0.002°
• γ: 90°
• Cell volume: 3705.7 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1247
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No