Information card for entry 2231940

Structure parameters

• Chemical name: 2-(2-Hydroxyphenyl)-3,4-dihydroisoquinolin-1(2<i>H</i>)-one
• Formula: C15 H13 N O2
• Calculated formula: C15 H13 N O2
• SMILES: c12ccccc1CCN(C2=O)c1c(cccc1)O
• Title of publication: 2-(2-Hydroxyphenyl)-3,4-dihydroisoquinolin-1(2<i>H</i>)-one
• Authors of publication: Yang, Jian; Ma, Yanni; Pan, Meng; Cao, Fangjun; Zhou, Le
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2721
• a: 21.35 ± 0.003 Å
• b: 11.067 ± 0.0014 Å
• c: 21.064 ± 0.003 Å
• α: 90°
• β: 100.227 ± 0.002°
• γ: 90°
• Cell volume: 4897.9 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes