Information card for entry 2227530

Structure parameters

• Chemical name: 1-Phenyl-1<i>H</i>-naphtho[1,2-<i>e</i>][1,3]oxazin-3(2<i>H</i>)-one
• Formula: C18 H13 N O2
• Calculated formula: C18 H13 N O2
• SMILES: O1c2ccc3c(cccc3)c2C(NC1=O)c1ccccc1
• Title of publication: 1-Phenyl-1<i>H</i>-naphtho[1,2-<i>e</i>][1,3]oxazin-3(2<i>H</i>)-one
• Authors of publication: Gondal, Humaira Y.; Bhatti, Misbah; Gohar, Azra; Ali, Muhammad; Tahir, M. Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2555
• a: 11.5625 ± 0.0004 Å
• b: 16.9228 ± 0.0005 Å
• c: 7.2394 ± 0.0002 Å
• α: 90°
• β: 98.155 ± 0.001°
• γ: 90°
• Cell volume: 1402.21 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0535
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes