Information card for entry 2220553

Structure parameters

• Chemical name: 3-(2-Aminoethyl)-2-(4-chloroanilino)quinazolin-4(3<i>H</i>)-one methanol 0.75-solvate
• Formula: C16.75 H18 Cl N4 O1.75
• Calculated formula: C16.75 H18 Cl N4 O1.75
• Title of publication: 3-(2-Aminoethyl)-2-(4-chloroanilino)quinazolin-4(3<i>H</i>)-one methanol 0.75-solvate
• Authors of publication: Yang, Xu-Hong; Chen, Xiao-Bao; Zhou, Si-Xuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o185 - o186
• a: 13.38 ± 0.003 Å
• b: 12.048 ± 0.002 Å
• c: 21.105 ± 0.004 Å
• α: 90°
• β: 104.49 ± 0.03°
• γ: 90°
• Cell volume: 3294 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.067
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes