Information card for entry 2212606

Structure parameters

• Chemical name: 1-(4-Fluorophenyl)-2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazin-3-one
• Formula: C18 H12 F N O2
• Calculated formula: C18 H12 F N O2
• SMILES: Fc1ccc(cc1)C1NC(=O)Oc2c1c1ccccc1cc2
• Title of publication: 1-(4-Fluorophenyl)-2,3-dihydro-1<i>H</i>-naphtho[1,2-<i>e</i>][1,3]oxazin-3-one
• Authors of publication: Bazgir, Ayoob; Ghorbani, Hosein
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1495 - o1496
• a: 13.319 ± 0.004 Å
• b: 6.3601 ± 0.0015 Å
• c: 17.331 ± 0.006 Å
• α: 90°
• β: 100.55 ± 0.03°
• γ: 90°
• Cell volume: 1443.3 ± 0.8 ų
• Cell temperature: 294 ± 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: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes