Information card for entry 2207116

Structure parameters

• Chemical name: Triethylaminium 4-(2-chlorobenzoyl)-3-methyl-1-(p-tolyl)-5-pyrazol-5-olate
• Formula: C24 H30 Cl N3 O2
• Calculated formula: C24 H30 Cl N3 O2
• Title of publication: Triethylaminium 4-(2-chlorobenzoyl)-3-methyl-1-(<i>p</i>-tolyl)-1<i>H</i>-pyrazol-5-olate
• Authors of publication: Duan, Xue-Min; Fan, Mei-Lian; Zheng, Peng-Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3831 - o3833
• a: 22.216 ± 0.002 Å
• b: 9.2475 ± 0.001 Å
• c: 23.913 ± 0.002 Å
• α: 90°
• β: 105.778 ± 0.002°
• γ: 90°
• Cell volume: 4727.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1533
• Weighted residual factors for all reflections included in the refinement: 0.1799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes