Information card for entry 2230229

Structure parameters

• Common name: <i>N</i>,<i>N</i>'-Bis(4-chlorophenyl)maleamide
• Chemical name: <i>N</i>,<i>N</i>'-bis(4-chlorophenyl)but-2-enediamide
• Formula: C16 H12 Cl2 N2 O2
• Calculated formula: C16 H12 Cl2 N2 O2
• SMILES: Clc1ccc(NC(=O)/C=C\C(=O)Nc2ccc(Cl)cc2)cc1
• Title of publication: <i>N</i>,<i>N</i>'-Bis(4-chlorophenyl)maleamide
• Authors of publication: Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1415
• a: 9.2397 ± 0.0007 Å
• b: 13.0154 ± 0.0008 Å
• c: 13.1239 ± 0.0009 Å
• α: 90°
• β: 107.916 ± 0.009°
• γ: 90°
• Cell volume: 1501.73 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes