Information card for entry 2219474

Structure parameters

• Common name: <i>N</i>-Methylisosalsoline
• Chemical name: 1,2-dimethyl-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
• Formula: C12 H17 N O2
• Calculated formula: C12 H17 N O2
• SMILES: [C@H]1(c2c(CCN1C)cc(c(c2)O)OC)C
• Title of publication: <i>N</i>-Methylisosalsoline from <i>Hammada scoparia</i>
• Authors of publication: Jarraya, Raoudha Mezghani; Bouaziz, Amira; Hamdi, Besma; Ben Salah, Abdelhamid; Damak, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1714
• a: 7.5942 ± 0.0006 Å
• b: 10.8082 ± 0.0008 Å
• c: 13.2716 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1089.33 ± 0.14 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0372
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes