Information card for entry 2223229

Structure parameters

• Chemical name: 5-Benzoyl-<i>N</i>,4-diphenyl-4,5-dihydro-1<i>H</i>-pyrazole-3-carboxamide
• Formula: C23 H19 N3 O2
• Calculated formula: C23 H19 N3 O2
• SMILES: O=C(Nc1ccccc1)C1=NN[C@@H]([C@H]1c1ccccc1)C(=O)c1ccccc1.O=C(Nc1ccccc1)C1=NN[C@H]([C@@H]1c1ccccc1)C(=O)c1ccccc1
• Title of publication: 5-Benzoyl-<i>N</i>,4-diphenyl-4,5-dihydro-1<i>H</i>-pyrazole-3-carboxamide
• Authors of publication: He, Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2281
• a: 5.809 ± 0.003 Å
• b: 10.717 ± 0.005 Å
• c: 29.428 ± 0.007 Å
• α: 90°
• β: 92.753 ± 0.005°
• γ: 90°
• Cell volume: 1829.9 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.0426
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes