Information card for entry 8102216

Structure parameters

• Chemical name: 2-((2-benzoyl-4-chlorophenyl)diazenyl)-3-oxo-N-phenylbutanamide
• Formula: C23 H18 Cl N3 O3
• Calculated formula: C23 H18 Cl N3 O3
• SMILES: c1ccccc1C(=O)c1cc(ccc1N/N=C(C(=O)C)\C(=O)Nc1ccccc1)Cl
• Title of publication: Crystal structure of 2-((2-benzoyl-4-chlorophenyl)diazenyl)-3-oxo-N-phenylbutanamide, C23H18ClN3O3
• Authors of publication: Zaker Bahreini; Hamid R. Khavasi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 1
• Pages of publication: 43
• a: 7.4001 ± 0.0004 Å
• b: 12.611 ± 0.0008 Å
• c: 21.6547 ± 0.0012 Å
• α: 90°
• β: 95.595 ± 0.004°
• γ: 90°
• Cell volume: 2011.2 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0748
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No