Information card for entry 2225572

Structure parameters

• Chemical name: 1'-(2-Chlorophenyl)-5,6,5',6',7',7a'-hexahydro-1'<i>H</i>,1''<i>H</i>- dispiro[imidazo[2,1-<i>b</i>][1,3]thiazole-2,2'-pyrrolizine- 3'(2'<i>H</i>),3''-indole]-2'',3(2<i>H</i>,3''<i>H</i>)-dione
• Formula: C24 H21 Cl N4 O2 S
• Calculated formula: C24 H21 Cl N4 O2 S
• SMILES: Clc1c([C@@H]2[C@]3(SC4=NCCN4C3=O)[C@@]3(N4[C@H]2CCC4)C(=O)Nc2c3cccc2)cccc1.Clc1c([C@H]2[C@@]3(SC4=NCCN4C3=O)[C@]3(N4[C@@H]2CCC4)C(=O)Nc2c3cccc2)cccc1
• Title of publication: 1'-(2-Chlorophenyl)-5,6,5',6',7',7a'-hexahydro-1'<i>H</i>,1''<i>H</i>-dispiro[imidazo[2,1-<i>b</i>][1,3]thiazole-2,2'-pyrrolizine-3'(2'<i>H</i>),3''-indole]-2'',3(2<i>H</i>,3''<i>H</i>)-dione
• Authors of publication: Liao, Bo; Zheng, Aiting; Liu, Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o852
• a: 8.6798 ± 0.0018 Å
• b: 11.078 ± 0.002 Å
• c: 11.372 ± 0.002 Å
• α: 78.984 ± 0.007°
• β: 81.867 ± 0.01°
• γ: 81.718 ± 0.011°
• Cell volume: 1054.8 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes