Information card for entry 2230789

Structure parameters

• Chemical name: 4-(Dimethylamino)benzaldehyde‒2,4-dinitroaniline (1/1)
• Formula: C15 H16 N4 O5
• Calculated formula: C15 H16 N4 O5
• SMILES: Nc1c(N(=O)=O)cc(N(=O)=O)cc1.N(c1ccc(C=O)cc1)(C)C
• Title of publication: 4-(Dimethylamino)benzaldehyde‒2,4-dinitroaniline (1/1)
• Authors of publication: Zhu, Ruitao; Li, Haoyang; Zhang, Yuewen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1676
• a: 18.7512 ± 0.0018 Å
• b: 7.3182 ± 0.0006 Å
• c: 24.338 ± 0.002 Å
• α: 90°
• β: 109.493 ± 0.001°
• γ: 90°
• Cell volume: 3148.4 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1327
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes