Information card for entry 2237219

Structure parameters

• Chemical name: <i>N</i>-(2,5-Dimethoxyphenyl)-6-nitroquinazolin-4-amine
• Formula: C16 H14 N4 O4
• Calculated formula: C16 H14 N4 O4
• SMILES: O(c1ccc(OC)cc1Nc1ncnc2ccc(N(=O)=O)cc12)C
• Title of publication: <i>N</i>-(2,5-Dimethoxyphenyl)-6-nitroquinazolin-4-amine
• Authors of publication: Saad, Syed Muhammad; Khan, Imran; Perveen, Shahnaz; Khan, Khalid M.; Yousuf, Sammer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o8
• a: 7.244 ± 0.0007 Å
• b: 10.2832 ± 0.001 Å
• c: 11.1622 ± 0.0011 Å
• α: 72.475 ± 0.002°
• β: 83.663 ± 0.002°
• γ: 70.429 ± 0.002°
• Cell volume: 747.05 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0513
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes