Information card for entry 2210561

Structure parameters

• Chemical name: N-(3-Chlorophenyl)-2-(4-isobutylphenyl)propanamide
• Formula: C19 H22 Cl N O
• Calculated formula: C19 H22 Cl N O
• SMILES: Clc1cc(NC(=O)C(C)c2ccc(cc2)CC(C)C)ccc1
• Title of publication: <i>N</i>-(3-Chlorophenyl)-2-(4-isobutylphenyl)propanamide
• Authors of publication: Saeed, Aamer; Flörke, Ulrich
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4322 - o4324
• a: 9.814 ± 0.0016 Å
• b: 32.64 ± 0.005 Å
• c: 10.7522 ± 0.0018 Å
• α: 90°
• β: 91.276 ± 0.004°
• γ: 90°
• Cell volume: 3443.4 ± 1 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: 0.1384
• Residual factor for significantly intense reflections: 0.091
• Weighted residual factors for significantly intense reflections: 0.2369
• Weighted residual factors for all reflections included in the refinement: 0.2564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes