Information card for entry 2229101

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(4-aminobenzyl)oxalamide
• Formula: C16 H18 N4 O2
• Calculated formula: C16 H18 N4 O2
• SMILES: O=C(NCc1ccc(N)cc1)C(=O)NCc1ccc(N)cc1
• Title of publication: <i>N</i>,<i>N</i>'-Bis(4-aminobenzyl)oxalamide
• Authors of publication: Gonzalez-Gonzalez, Juan Saulo; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Franco-Hernández, Olivia M.; Padilla-Martínez, Itzia I.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o398
• a: 10.797 ± 0.0009 Å
• b: 8.093 ± 0.0008 Å
• c: 17.9888 ± 0.0007 Å
• α: 90°
• β: 110.151 ± 0.01°
• γ: 90°
• Cell volume: 1475.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0632
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes