Information card for entry 2227273

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(2-chlorophenyl)propanediamide
• Formula: C15 H12 Cl2 N2 O2
• Calculated formula: C15 H12 Cl2 N2 O2
• SMILES: c1(c(cccc1)Cl)NC(=O)CC(=O)Nc1c(cccc1)Cl
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2-chlorophenyl)propanediamide
• Authors of publication: Gowda, B. Thimme; Tokarčík, Miroslav; Rodrigues, Vinola Z.; Kožíšek, Jozef; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o3038
• a: 13.8819 ± 0.0009 Å
• b: 15.3556 ± 0.001 Å
• c: 7.0316 ± 0.0005 Å
• α: 90°
• β: 104.027 ± 0.007°
• γ: 90°
• Cell volume: 1454.2 ± 0.17 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0637
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1268
• 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