Information card for entry 2205362

Structure parameters

• Chemical name: 3-4(Chlorophenyl)-2H-benz[b][1,4]oxazine
• Formula: C14 H10 Cl N O
• Calculated formula: C14 H10 Cl N O
• SMILES: Clc1ccc(cc1)C1=Nc2c(OC1)cccc2
• Title of publication: 3-(4-Chlorophenyl)-2<i>H</i>-benz[<i>b</i>][1,4]oxazine
• Authors of publication: Vencato, Ivo; Ferri, Pedro H.; Faria, Lourival C.; Santos, Suzana C.; Lariucci, Carlito
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: o769 - o771
• a: 13.861 ± 0.003 Å
• b: 5.834 ± 0.001 Å
• c: 14.903 ± 0.003 Å
• α: 90°
• β: 110.65 ± 0.03°
• γ: 90°
• Cell volume: 1127.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.061
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes