Information card for entry 2214449

Structure parameters

• Chemical name: 6-Amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4(3H)-one
• Formula: C16 H14 F N3 O
• Calculated formula: C16 H14 F N3 O
• Title of publication: 6-Amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4(3<i>H</i>)-one
• Authors of publication: Sheng-Chun Chen; Fang-Hua Yin; Qun Chen; Qi Liu; Ming-Yang He
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3109 - o3109
• a: 6.31 ± 0.0013 Å
• b: 12.31 ± 0.003 Å
• c: 17.658 ± 0.004 Å
• α: 90°
• β: 90.24 ± 0.03°
• γ: 90°
• Cell volume: 1371.6 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes