Information card for entry 2202802

Structure parameters

• Chemical name: 4'-(2,4-Dichlorophenyl)-1'-methyl-2,3,2'',3''-tetrahydro-1H-indole- 3-spiro-2'-pyrrolidine-3'-spiro-2''-(1,3-benzimidazo[2,1-b]thiazole)- 2,3''-dione
• Formula: C26 H18 Cl2 N4 O2 S
• Calculated formula: C26 H18 Cl2 N4 O2 S
• SMILES: S1[C@@]2(C(=O)n3c1nc1c3cccc1)[C@]1(N(C[C@H]2c2c(Cl)cc(Cl)cc2)C)C(=O)Nc2ccccc12.S1[C@]2(C(=O)n3c1nc1c3cccc1)[C@@]1(N(C[C@@H]2c2c(Cl)cc(Cl)cc2)C)C(=O)Nc2ccccc12
• Title of publication: 4'-(2,4-Dichlorophenyl)-1'-methyl-2,3,2'',3''-tetrahydro-1<i>H</i>-indole-3-spiro-2'-pyrrolidine-3'-spiro-2''-(1,3-benzimidazo[2,1-<i>b</i>]thiazole)-2,3''-dione
• Authors of publication: Li, Xiao-Fang; Feng, Ya-Qing; Shi, Da-Xin; Chen, Hong-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: o1405 - o1406
• a: 13.209 ± 0.006 Å
• b: 11.107 ± 0.005 Å
• c: 17.248 ± 0.008 Å
• α: 90°
• β: 109.673 ± 0.007°
• γ: 90°
• Cell volume: 2382.8 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0854
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes