Information card for entry 2236080

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylphthalamide
• Formula: C12 H16 N2 O2
• Calculated formula: C12 H16 N2 O2
• SMILES: O=C(N(C)C)c1ccccc1C(=O)N(C)C
• Title of publication: <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylphthalamide
• Authors of publication: Hamada, Adel; Boudinar, Yamina; Beghidja, Adel; Boutebdja, Mehdi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2710
• a: 6.7337 ± 0.0006 Å
• b: 18.123 ± 0.0014 Å
• c: 9.8216 ± 0.0008 Å
• α: 90°
• β: 104.918 ± 0.003°
• γ: 90°
• Cell volume: 1158.18 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes