Information card for entry 2225739

Structure parameters

• Chemical name: 4-Methylbenzyl 4-aminobenzoate
• Formula: C15 H15 N O2
• Calculated formula: C15 H15 N O2
• SMILES: Nc1ccc(C(=O)OCc2ccc(cc2)C)cc1
• Title of publication: 4-Methylbenzyl 4-aminobenzoate
• Authors of publication: Haider, Ali; Akhter, Zareen; Khan, Mohammad Saif Ullah; Bolte, Michael; Siddiqi, Humaira M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o736
• a: 8.2097 ± 0.0012 Å
• b: 5.5344 ± 0.0005 Å
• c: 14.293 ± 0.002 Å
• α: 90°
• β: 98.531 ± 0.012°
• γ: 90°
• Cell volume: 642.23 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes