Information card for entry 1519901

Structure parameters

• Chemical name: N,N'-1,3-phenylenediacetamide
• Formula: C10 H12 N2 O2
• Calculated formula: C10 H12 N2 O2
• SMILES: c1(cc(ccc1)NC(=O)C)NC(=O)C
• Title of publication: N,N'-1,3-phenylenediacetamide
• Authors of publication: Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 1380
• a: 8.9722 ± 0.0006 Å
• b: 6.863 ± 0.0005 Å
• c: 15.3273 ± 0.0008 Å
• α: 90°
• β: 90.092 ± 0.005°
• γ: 90°
• Cell volume: 943.8 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1262
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.2068
• Weighted residual factors for all reflections included in the refinement: 0.2412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No