Information card for entry 2221787

Structure parameters

• Chemical name: 2-Methyl-1,2,3,4-tetrahydroisoquinolin-6-yl <i>N</i>-phenylcarbamate
• Formula: C17 H18 N2 O2
• Calculated formula: C17 H18 N2 O2
• SMILES: N(C(=O)Oc1ccc2c(c1)CCN(C2)C)c1ccccc1
• Title of publication: 2-Methyl-1,2,3,4-tetrahydroisoquinolin-6-yl <i>N</i>-phenylcarbamate
• Authors of publication: Zhang, Qi-Hong; Xie, Qiong; Wang, Jing-Mei; Qiu, Zhui-Bai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1058
• a: 6.0653 ± 0.0006 Å
• b: 15.554 ± 0.0017 Å
• c: 15.1817 ± 0.0016 Å
• α: 90°
• β: 93.488 ± 0.002°
• γ: 90°
• Cell volume: 1429.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.054
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes