Information card for entry 2001229

Structure parameters

• Chemical name: (-)-α-[(2-acetyl-5-methylphenyl)amino]-2,6-dichlorobenzeneacetamide
• Formula: C17 H16 Cl2 N2 O2
• Calculated formula: C17 H16 Cl2 N2 O2
• SMILES: Cc1ccc(c(c1)N[C@@H](c1c(Cl)cccc1Cl)C(=O)N)C(=O)C
• Title of publication: Structure and absolute configuration of (–)-α-[(2-acetyl-5-methylphenyl)amino]-2,6-dichlorobenzeneacetamide
• Authors of publication: Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 1961 - 1963
• a: 7.3416 ± 0.0008 Å
• b: 10.3924 ± 0.0008 Å
• c: 21.509 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1641.1 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for all reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.0575
• Goodness-of-fit parameter for significantly intense reflections: 0.94
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No