Information card for entry 2240387

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-(1,2-Phenylene)bis(2-chloroacetamide)
• Formula: C10 H10 Cl2 N2 O2
• Calculated formula: C10 H10 Cl2 N2 O2
• SMILES: ClCC(=O)Nc1ccccc1NC(=O)CCl
• Title of publication: Crystal structure of <i>N</i>,<i>N</i>'-(1,2-phenylene)bis(2-chloroacetamide)
• Authors of publication: Tariq, Javaria; Murtaza, Shahzad; Tahir, Muhammad Nawaz; Zaheer, Muhammad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: o108
• a: 4.5731 ± 0.0004 Å
• b: 14.326 ± 0.0016 Å
• c: 16.7472 ± 0.0015 Å
• α: 90°
• β: 95.611 ± 0.005°
• γ: 90°
• Cell volume: 1091.92 ± 0.18 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: 0.0504
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes