Information card for entry 2230387

Structure parameters

• Common name: gliquidone
• Chemical name: <i>N</i>-cyclohexylcarbamoyl-4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-1,2,3,4- tetrahydroisoquinolin-2-yl)ethyl]benzenesulfonamide
• Formula: C27 H33 N3 O6 S
• Calculated formula: C27 H33 N3 O6 S
• SMILES: S(=O)(=O)(NC(=O)NC1CCCCC1)c1ccc(cc1)CCN1C(=O)c2c(C(C1=O)(C)C)ccc(OC)c2
• Title of publication: Gliquidone
• Authors of publication: Gelbrich, Thomas; Haddow, Mairi F.; Griesser, Ulrich J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1343
• a: 19.1494 ± 0.0004 Å
• b: 10.7253 ± 0.0003 Å
• c: 13.8024 ± 0.0002 Å
• α: 90°
• β: 106.691 ± 0.001°
• γ: 90°
• Cell volume: 2715.34 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0502
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes