Information card for entry 2014060

Structure parameters

• Chemical name: 2-Nitrophenoxyacetanilide
• Formula: C14 H12 N2 O4
• Calculated formula: C14 H12 N2 O4
• SMILES: O(c1c(N(=O)=O)cccc1)CC(=O)Nc1ccccc1
• Title of publication: 2-Nitrophenoxyacetanilide: a chain of rings generated 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 C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: o290 - o292
• a: 8.5855 ± 0.0003 Å
• b: 6.6129 ± 0.0002 Å
• c: 22.0221 ± 0.0008 Å
• α: 90°
• β: 91.833 ± 0.0017°
• γ: 90°
• Cell volume: 1249.67 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes