Information card for entry 2221994

Structure parameters

• Common name: 5-Dimethylamino-<i>N</i>,<i>N</i>-dimethyl-2-nitrobenzamide
• Formula: C11 H15 N3 O3
• Calculated formula: C11 H15 N3 O3
• SMILES: O=C(N(C)C)c1cc(N(C)C)ccc1N(=O)=O
• Title of publication: 5-Dimethylamino-<i>N</i>,<i>N</i>-dimethyl-2-nitrobenzamide
• Authors of publication: Fun, Hoong-Kun; Jebas, Samuel Robinson; Chandrakantha, B.; Padmar, Vijaya; Isloor, Arun M
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1342
• a: 7.8581 ± 0.0002 Å
• b: 7.2921 ± 0.0002 Å
• c: 10.5183 ± 0.0003 Å
• α: 90°
• β: 104.663 ± 0.001°
• γ: 90°
• Cell volume: 583.09 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0412
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes