Information card for entry 2204584

Structure parameters

• Chemical name: 2-Fluoro-N-[7-fluoro-3,4-dihydro-2-methyl-3-oxo-4-(prop-2-ynyl)- 2H-1,4-benzoxazin-6-yl]benzamide
• Formula: C19 H14 F2 N2 O3
• Calculated formula: C19 H14 F2 N2 O3
• SMILES: Fc1cc2OC(C(=O)N(c2cc1NC(=O)c1c(F)cccc1)CC#C)C
• Title of publication: 2-Fluoro-<i>N</i>-[7-fluoro-3,4-dihydro-2-methyl-3-oxo-4-(prop-2-ynyl)-2<i>H</i>-1,4-benzoxazin-6-yl]benzamide
• Authors of publication: Hou, Zhong-Ke; Ao, Cong-Cong; Song, Jian; Chen, Li-Gong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o1957 - o1958
• a: 10.904 ± 0.004 Å
• b: 8.67 ± 0.003 Å
• c: 35.271 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3334 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0907
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes