Information card for entry 2237718

Structure parameters

• Chemical name: <i>N</i>-(4-Hydroxyphenyl)-4-nitrobenzamide
• Formula: C13 H10 N2 O4
• Calculated formula: C13 H10 N2 O4
• SMILES: O=C(Nc1ccc(O)cc1)c1ccc(N(=O)=O)cc1
• Title of publication: <i>N</i>-(4-Hydroxyphenyl)-4-nitrobenzamide
• Authors of publication: Waris, Ghulam; Siddiqi, Humaira Masood; Flörke, Ulrich; Saeed, Shaukat; Butt, M. Saeed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o526
• a: 7.5187 ± 0.0005 Å
• b: 12.5695 ± 0.0009 Å
• c: 11.7932 ± 0.0008 Å
• α: 90°
• β: 90.033 ± 0.002°
• γ: 90°
• Cell volume: 1114.53 ± 0.13 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0572
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes