Information card for entry 2208436

Structure parameters

• Chemical name: 2,2-Dimethyl-1,4-dihydro-2H-3,1-benzoxazine
• Formula: C10 H13 N O
• Calculated formula: C10 H13 N O
• SMILES: c12ccccc1NC(C)(C)OC2
• Title of publication: 2,2-Dimethyl-1,4-dihydro-2<i>H</i>-3,1-benzoxazine
• Authors of publication: Odabaşoğlu, Mustafa; Özdamar, Özgür; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o908 - o910
• a: 8.2844 ± 0.0009 Å
• b: 8.4743 ± 0.001 Å
• c: 25.388 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1782.4 ± 0.4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 0.81
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes