Information card for entry 2205461

Structure parameters

• Common name: N-Methylcorydaldine
• Chemical name: 6,7-Dimethoxy-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
• Formula: C12 H15 N O3
• Calculated formula: C12 H15 N O3
• SMILES: O=C1N(CCc2cc(OC)c(OC)cc12)C
• Title of publication: 6,7-Dimethoxy-2-methyl-3,4-dihydroisoquinolin-1(2<i>H</i>)-one
• Authors of publication: Said, Ikram M.; Hamid, Norizan. A. A.; Latif, Jalifah; Din, Laily B.; Yamin, Bohari M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o797 - o798
• a: 9.7846 ± 0.0017 Å
• b: 16.865 ± 0.003 Å
• c: 6.8914 ± 0.0012 Å
• α: 90°
• β: 103.934 ± 0.003°
• γ: 90°
• Cell volume: 1103.7 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.081
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes