Information card for entry 8105774

Structure parameters

• Formula: C23 H16 Cl N5 O
• Calculated formula: C23 H16 Cl N5 O
• SMILES: c1(cc(c2nnc(Nc3ccccc3)o2)nn1c1ccccc1)c1ccc(cc1)Cl
• Title of publication: Crystal structure of 5-(5-(4-chlorophenyl)-1-phenyl-1H-pyrazol-3-yl)-N-phenyl-2-amine, C23H16ClN5O
• Authors of publication: Alotaibi, Mohammad Hayal; Mohamed, Hanan A.; Abdel-Wahab, Bakr F.; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 3
• Pages of publication: 543 - 545
• a: 10.0503 ± 0.0006 Å
• b: 17.5265 ± 0.0009 Å
• c: 22.8763 ± 0.0016 Å
• α: 90°
• β: 91.554 ± 0.006°
• γ: 90°
• Cell volume: 4028.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.188
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1726
• Weighted residual factors for all reflections included in the refinement: 0.2274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No