Information card for entry 2203337

Structure parameters

• Chemical name: Methyl 4-benzoyl-1,5-diphenyl-1H-pyrazole-3-carboxylate
• Formula: C24 H18 N2 O3
• Calculated formula: C24 H18 N2 O3
• SMILES: O=C(OC)c1nn(c(c1C(=O)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Methyl 4-benzoyl-1,5-diphenyl-1<i>H</i>-pyrazole-3-carboxylate
• Authors of publication: Dinçer, Muharrem; Özdemir, Namık; Yıldırım, İsmail; Demir, Elif; Akçamur, Yunus; Işık, Şamil
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: o317 - o319
• a: 8.6467 ± 0.0006 Å
• b: 20.5855 ± 0.0013 Å
• c: 10.9985 ± 0.0008 Å
• α: 90°
• β: 100.297 ± 0.006°
• γ: 90°
• Cell volume: 1926.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0438
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0438
• Weighted residual factors for all reflections included in the refinement: 0.0447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes