Information card for entry 2226667

Structure parameters

• Chemical name: 4-Nitroaniline‒2,4,6-trimethoxybenzaldehyde (1/1)
• Formula: C16 H18 N2 O6
• Calculated formula: C16 H18 N2 O6
• SMILES: O=Cc1c(OC)cc(OC)cc1OC.O=N(=O)c1ccc(N)cc1
• Title of publication: 4-Nitroaniline‒2,4,6-trimethoxybenzaldehyde (1/1)
• Authors of publication: Asiri, Abdullah M.; Khan, Salman A.; Tan, Kong Wai; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1765
• a: 7.4409 ± 0.0011 Å
• b: 30.022 ± 0.005 Å
• c: 6.94 ± 0.0011 Å
• α: 90°
• β: 93.237 ± 0.003°
• γ: 90°
• Cell volume: 1547.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0842
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes