Information card for entry 2011681

Structure parameters

• Chemical name: 4-(3'-bromo-4' -hydroxyphenyl)-amino-6,7 -dimethoxyquinazoline
• Formula: C17 H19 Br Cl N3 O4
• Calculated formula: C17 H19 Br Cl N3 O4
• Title of publication: 4-[(3-Bromo-4-hydroxyphenyl)amino]-6,7-dimethoxyquinazolin-1-ium chloride methanol solvate and 4-[(3-hydroxyphenyl)amino]-6,7-dimethoxy-1-quinazolinium chloride
• Authors of publication: Ghosh, Sutapa; Jennisen, Jason D.; Liu, Xing-Ping; Uckun, Fatih M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: 76 - 78
• a: 7.113 ± 0.005 Å
• b: 9.339 ± 0.007 Å
• c: 14.526 ± 0.01 Å
• α: 79.14 ± 0.01°
• β: 85.37 ± 0.01°
• γ: 86.49 ± 0.01°
• Cell volume: 943.5 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes