Information card for entry 2215198

Structure parameters

• Chemical name: 3-Benzyl-6-methyl-3,4-dihydro-2H-1,3-benzoxazine
• Formula: C16 H17 N O
• Calculated formula: C16 H17 N O
• SMILES: Cc1ccc2c(c1)CN(CO2)Cc1ccccc1
• Title of publication: 3-Benzyl-6-methyl-3,4-dihydro-2<i>H</i>-1,3-benzoxazine
• Authors of publication: Xiu-Ling Chen; Ming-Hu Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3684 - o3684
• a: 13.4112 ± 0.0011 Å
• b: 5.1816 ± 0.0004 Å
• c: 19.422 ± 0.0017 Å
• α: 90°
• β: 105.007 ± 0.001°
• γ: 90°
• Cell volume: 1303.63 ± 0.19 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes