Information card for entry 2224583

Structure parameters

• Chemical name: <i>N</i>-(3,4-Dichlorophenyl)-3-oxobutanamide
• Formula: C10 H9 Cl2 N O2
• Calculated formula: C10 H9 Cl2 N O2
• SMILES: Clc1cc(NC(=O)CC(=O)C)ccc1Cl
• Title of publication: <i>N</i>-(3,4-Dichlorophenyl)-3-oxobutanamide
• Authors of publication: Jotani, Mukesh M.; Jasinski, Jerry P.; Baldaniya, Bharat B.; Butcher, Ray J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o58 - o59
• a: 9.7171 ± 0.0004 Å
• b: 8.2834 ± 0.0005 Å
• c: 27.4857 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2212.3 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1224
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes