Information card for entry 2240247

Structure parameters

• Chemical name: 4-Methoxyquinazoline
• Formula: C9 H8 N2 O
• Calculated formula: C9 H8 N2 O
• SMILES: c1nc2c(c(n1)OC)cccc2
• Title of publication: Crystal structure of 4-methoxyquinazoline
• Authors of publication: El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alshammari, Mohammed B.; Kariuki, Benson M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• Pages of publication: o1279
• a: 6.959 ± 0.0006 Å
• b: 4.0517 ± 0.0003 Å
• c: 13.5858 ± 0.0012 Å
• α: 90°
• β: 91.754 ± 0.008°
• γ: 90°
• Cell volume: 382.88 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes