Information card for entry 2202585

Structure parameters

• Chemical name: 4'-(4-Chlorophenyl)-1'-methyl-4'',5'',6'',7''-tetrahydro- 1H-indole-3-spiro-2'-pyrrolidine-3'-spiro-2''-(thiazolo[3,2-a]pyrimidine)- 2(3H),3''(2''H)-dione
• Formula: C23 H21 Cl N4 O2 S
• Calculated formula: C23 H21 Cl N4 O2 S
• SMILES: S1[C@@]2(C(=O)N3C1=NCCC3)[C@]1(N(C[C@H]2c2ccc(Cl)cc2)C)C(=O)Nc2ccccc12.S1[C@]2(C(=O)N3C1=NCCC3)[C@@]1(N(C[C@@H]2c2ccc(Cl)cc2)C)C(=O)Nc2ccccc12
• Title of publication: 4'-(4-Chlorophenyl)-1'-methyl-4'',5'',6'',7''-tetrahydro-1<i>H</i>-indole-3-spiro-2'-pyrrolidine-3'-spiro-2''-(thiazolo[3,2-<i>a</i>]pyrimidine)-2(3<i>H</i>),3''(2''<i>H</i>)-dione
• Authors of publication: Li, Xiao-Fang; Feng, Ya-Qing; Gao, Bo; Li, Nan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: o1624 - o1625
• a: 22.308 ± 0.008 Å
• b: 13.224 ± 0.005 Å
• c: 15.054 ± 0.006 Å
• α: 90°
• β: 102.25 ± 0.008°
• γ: 90°
• Cell volume: 4340 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1008
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.1697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes