Information card for entry 2236209

Structure parameters

• Chemical name: <i>N</i>-[4-(4-Nitrophenoxy)phenyl]pentanamide
• Formula: C17 H18 N2 O4
• Calculated formula: C17 H18 N2 O4
• SMILES: c1(ccc(N(=O)=O)cc1)Oc1ccc(cc1)NC(=O)CCCC
• Title of publication: <i>N</i>-[4-(4-Nitrophenoxy)phenyl]pentanamide
• Authors of publication: Nigar, Asifan; Akhter, Zareen; McKee, Vickie; Hussain, Rizwan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2816
• a: 4.9776 ± 0.0005 Å
• b: 10.1139 ± 0.001 Å
• c: 30.572 ± 0.003 Å
• α: 92.069 ± 0.002°
• β: 90.087 ± 0.002°
• γ: 91.06 ± 0.002°
• Cell volume: 1537.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes