Information card for entry 2223124

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-(Methylenedi-<i>p</i>-phenylene)dibenzamide
• Formula: C27 H22 N2 O2
• Calculated formula: C27 H22 N2 O2
• SMILES: O=C(Nc1ccc(Cc2ccc(NC(=O)c3ccccc3)cc2)cc1)c1ccccc1
• Title of publication: <i>N</i>,<i>N</i>'-(Methylenedi-<i>p</i>-phenylene)dibenzamide
• Authors of publication: Saeed, Sohail; Rashid, Naghmana; Hussain, Rizwan; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2140
• a: 5.7296 ± 0.0007 Å
• b: 9.601 ± 0.001 Å
• c: 20.045 ± 0.002 Å
• α: 88.517 ± 0.008°
• β: 82.293 ± 0.008°
• γ: 75.67 ± 0.01°
• Cell volume: 1058.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0426
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes