Information card for entry 2204688

Structure parameters

• Chemical name: 1-(4-Methoxyphenyl)-2-(2-nitrophenoxy)propan-1-one
• Formula: C16 H15 N O5
• Calculated formula: C16 H15 N O5
• SMILES: O(c1c(N(=O)=O)cccc1)C(C(=O)c1ccc(cc1)OC)C
• Title of publication: 1-(4-Methoxyphenyl)-2-(2-nitrophenoxy)propan-1-one
• Authors of publication: Vencato, Ivo; Ferri, Pedro H.; Santos, Suzana C.; Santos, Lourivaldo S.; Lariucci, Carlito; Napolitano, Hamilton B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2498 - o2500
• a: 8.851 ± 0.002 Å
• b: 9.858 ± 0.002 Å
• c: 17.255 ± 0.003 Å
• α: 90°
• β: 94.99 ± 0.03°
• γ: 90°
• Cell volume: 1499.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.059
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes