Information card for entry 2226655

Structure parameters

• Chemical name: <i>N</i>-(4-Nitrophenethyl)formamide
• Formula: C9 H10 N2 O3
• Calculated formula: C9 H10 N2 O3
• SMILES: O=N(=O)c1ccc(cc1)CCNC=O
• Title of publication: <i>N</i>-(4-Nitrophenethyl)formamide
• Authors of publication: He, Li-Ping; Yang, Xiao-Ming; Pang, Dao-Lin; Li, Hui-Zhang; Li, Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1721
• a: 4.4754 ± 0.0001 Å
• b: 17.6664 ± 0.0005 Å
• c: 12.1548 ± 0.0004 Å
• α: 90°
• β: 93.021 ± 0.002°
• γ: 90°
• Cell volume: 959.67 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.083
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes