Information card for entry 2222199

Structure parameters

• Chemical name: 2-nitro-<i>N</i>-propylbenzamide
• Formula: C10 H12 N2 O3
• Calculated formula: C10 H12 N2 O3
• SMILES: O=C(NCCC)c1ccccc1N(=O)=O
• Title of publication: 2-Nitro-<i>N</i>-propylbenzamide
• Authors of publication: Guo, Li-Hua; Tan, Hai-Jun; Wang, Ji-Kui; Wang, Jin-Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1488
• a: 15.835 ± 0.003 Å
• b: 9.391 ± 0.0019 Å
• c: 23.618 ± 0.005 Å
• α: 90°
• β: 108.35 ± 0.03°
• γ: 90°
• Cell volume: 3333.6 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1582
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.1583
• Weighted residual factors for all reflections included in the refinement: 0.1883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes