Information card for entry 2203629

Structure parameters

• Chemical name: 2-Methoxycarbonyl-4-nitroacetanilide
• Formula: C10 H10 N2 O5
• Calculated formula: C10 H10 N2 O5
• Title of publication: 2-Methoxycarbonyl-4-nitroacetanilide: π-stacked chains linked in pairs by C—H···O hydrogen bonds
• Authors of publication: Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: o852 - o854
• a: 16.4482 ± 0.0014 Å
• b: 19.9095 ± 0.0017 Å
• c: 6.7549 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2212.1 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes