Information card for entry 2226451

Structure parameters

• Chemical name: <i>N</i>-{2-[<i>N</i>-(4-Methylphenyl)oxamoyl]phenyl}propanamide
• Formula: C18 H18 N2 O3
• Calculated formula: C18 H18 N2 O3
• SMILES: O=C(Nc1ccc(cc1)C)C(=O)c1ccccc1NC(=O)CC
• Title of publication: <i>N</i>-{2-[<i>N</i>-(4-Methylphenyl)oxamoyl]phenyl}propanamide
• Authors of publication: Pervez, Humayun; Ahmad, Maqbool; Yaqub, Muhammad; Tahir, M. Nawaz; Saira, Naveeda
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1729
• a: 9.2048 ± 0.0004 Å
• b: 9.7717 ± 0.0003 Å
• c: 10.4404 ± 0.0004 Å
• α: 72.962 ± 0.002°
• β: 72.92 ± 0.001°
• γ: 69.285 ± 0.002°
• Cell volume: 820.63 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes