Information card for entry 2238779

Structure parameters

• Common name: 8-Methoxy-3-methyl-3,4-dihydro-2<i>H</i>-1,3-benzoxazine
• Chemical name: 8-Methoxy-3-methyl-3,4-dihydro-2<i>H</i>-1,3-benzoxazine
• Formula: C10 H13 N O2
• Calculated formula: C10 H13 N O2
• SMILES: COc1cccc2c1OCN(C2)C
• Title of publication: 8-Methoxy-3-methyl-3,4-dihydro-2<i>H</i>-1,3-benzoxazine
• Authors of publication: Zhu, Jing; Yang, Xiang-Xiang; Xu, Long-Yu; Ren, Zhi-Dong; Qu, Ling-Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1619
• a: 23.4234 ± 0.0014 Å
• b: 5.0054 ± 0.0003 Å
• c: 15.9408 ± 0.001 Å
• α: 90°
• β: 97.21 ± 0.006°
• γ: 90°
• Cell volume: 1854.2 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 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: 0.0604
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No