Information card for entry 2220023

Structure parameters

• Chemical name: <i>N</i>-[4-(4-Nitrophenoxy)phenyl]propionamide
• Formula: C15 H14 N2 O4
• Calculated formula: C15 H14 N2 O4
• SMILES: N(C(=O)CC)c1ccc(Oc2ccc(N(=O)=O)cc2)cc1
• Title of publication: <i>N</i>-[4-(4-Nitrophenoxy)phenyl]propionamide
• Authors of publication: Nigar, Asifa; Akhter, Zareen; Bolte, Michael; Siddiqi, Humaira M.; Hussain, Rizwan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2186
• a: 14.8597 ± 0.0014 Å
• b: 5.24 ± 0.0003 Å
• c: 17.9034 ± 0.0016 Å
• α: 90°
• β: 101.875 ± 0.007°
• γ: 90°
• Cell volume: 1364.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0452
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes