Information card for entry 2202863

Structure parameters

• Chemical name: 1-Methyl-spiro[2.3']oxindole-spiro[3.2"]5",6"-dihydro-imidazo [2",1"-b]thiazol-3"-one -4-(2-benzo[1,3]dioxol-5-yl)-pyrrolidine
• Formula: C23 H20 N4 O4 S
• Calculated formula: C23 H20 N4 O4 S
• SMILES: S1[C@]2(C(=O)N3C1=NCC3)[C@@H](CN([C@@]12C(=O)Nc2ccccc12)C)c1cc2OCOc2cc1.S1[C@@]2(C(=O)N3C1=NCC3)[C@H](CN([C@]12C(=O)Nc2ccccc12)C)c1cc2OCOc2cc1
• Title of publication: 1-Methyl-spiro[2.3']oxindole-spiro[3.2'']5'',6''-dihydroimidazo[2'',1''-<i>b</i>]thiazol-3''-one-4-(2-benzo[1,3]dioxol-5-yl)pyrrolidine
• Authors of publication: Li, Xiao-Fang; Feng, Ya-Qing; Gao, Bo; Chen,Hong-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: o1467 - o1468
• a: 8.741 ± 0.004 Å
• b: 9.255 ± 0.004 Å
• c: 14.097 ± 0.007 Å
• α: 85.69 ± 0.007°
• β: 72.206 ± 0.007°
• γ: 79.169 ± 0.008°
• Cell volume: 1066.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes