Information card for entry 2003937

Structure parameters

• Common name: 3a,9b-Dihydro-2,9b-dimethylthiazolo[5,4-c]quinolin-4(5H)-one cis-isomer
• Chemical name: (3aS^*^,9bS^*^)-(±)-3a,9b-Dihydro-2,9b-dimethylthiazolo[5,4-c] quinolin-4(5H)-one
• Formula: C12 H12 N2 O S
• Calculated formula: C12 H12 N2 O S
• SMILES: S1C(=N[C@@]2([C@H]1C(=O)Nc1c2cccc1)C)C.S1C(=N[C@]2([C@@H]1C(=O)Nc1c2cccc1)C)C
• Title of publication: (3a<i>S</i>^*^,9b<i>S</i>^*^)-(±)-3a,9b-Dihydro-2,9b-dimethylthiazolo[5,4-<i>c</i>]quinolin-4(5<i>H</i>)-one
• Authors of publication: Dao, D. C.; Ferguson, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 9
• Pages of publication: 1823 - 1825
• a: 24.032 ± 0.004 Å
• b: 8.109 ± 0.002 Å
• c: 24.014 ± 0.003 Å
• α: 90°
• β: 98.47 ± 0.01°
• γ: 90°
• Cell volume: 4628.7 ± 1.5 ų
• Cell temperature: 294 ± 1 K
• Number of distinct elements: 5
• 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: 0.0617
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for all reflections: 0.1134
• Weighted residual factors for significantly intense reflections: 0.1062
• Goodness-of-fit parameter for all reflections: 1.065
• Goodness-of-fit parameter for significantly intense reflections: 1.202
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No