Information card for entry 2211923

Structure parameters

• Chemical name: N-Benzyl-4,5-dimethoxy-2-nitrobenzamide
• Formula: C16 H16 N2 O5
• Calculated formula: C16 H16 N2 O5
• SMILES: COc1c(cc(c(c1)C(=O)NCc1ccccc1)N(=O)=O)OC
• Title of publication: <i>N</i>-Benzyl-4,5-dimethoxy-2-nitrobenzamide
• Authors of publication: Ghulam Qadeer; Nasim Hasan Rama; Wai-Yeung Wong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o335 - o336
• a: 14.915 ± 0.002 Å
• b: 8.4187 ± 0.0014 Å
• c: 25.277 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3173.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1362
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1526
• Weighted residual factors for all reflections included in the refinement: 0.1829
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes