Information card for entry 2006316

Structure parameters

• Formula: C11 H14 Cl N3 O3
• Calculated formula: C11 H14 Cl N3 O3
• SMILES: COc1cc2nc(Cl)nc(c2cc1OC)N.CO
• Title of publication: 4-Amino-2-chloro-6,7-dimethoxyquinazoline Methanol Solvate
• Authors of publication: Chunqiu P. Lai; Liu Bo; Songping D. Huang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 906 - 907
• a: 7.254 ± 0.004 Å
• b: 11.914 ± 0.002 Å
• c: 14.953 ± 0.002 Å
• α: 90°
• β: 100.34 ± 0.03°
• γ: 90°
• Cell volume: 1271.3 ± 0.8 ų
• Cell temperature: 295.2 K
• Ambient diffraction temperature: 295.2 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 significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0546
• Goodness-of-fit parameter for significantly intense reflections: 1.484
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No