Information card for entry 2242808

Structure parameters

• Chemical name: 7'-(4-Chlorophenyl)-2''-(4-methoxyphenyl)-7',7a',7'',8''-tetrahydro-1'<i>H</i>,3'<i>H</i>,5''<i>H</i>-dispiro[indoline-3,5'-pyrrolo[1,2-<i>c</i>]thiazole-6',6''-quinoline]-2,5''-dione
• Formula: C34 H28 Cl N3 O3 S
• Calculated formula: C34 H28 Cl N3 O3 S
• SMILES: [C@@H]1([C@@]2([C@]3(c4ccccc4NC3=O)N3[C@@H]1CSC3)C(=O)c1ccc(c3ccc(cc3)OC)nc1CC2)c1ccc(cc1)Cl.[C@H]1([C@]2([C@@]3(c4ccccc4NC3=O)N3[C@H]1CSC3)C(=O)c1ccc(c3ccc(cc3)OC)nc1CC2)c1ccc(cc1)Cl
• Title of publication: Crystal structure of 7'-(4-chlorophenyl)-2''-(4-methoxyphenyl)-7',7a',7'',8''-tetrahydro-1'<i>H</i>,3'<i>H</i>,5''<i>H</i>-dispiro[indoline-3,5'-pyrrolo[1,2-<i>c</i>]thiazole-6',6''-quinoline]-2,5''-dione and an unknown solvent
• Authors of publication: Vishnupriya, R.; Venkateshan, M.; Suresh, J.; Sumesh, R. V.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 2
• Pages of publication: 189 - 193
• a: 11.8222 ± 0.0007 Å
• b: 14.7535 ± 0.0009 Å
• c: 19.5055 ± 0.0012 Å
• α: 68.396 ± 0.003°
• β: 78.555 ± 0.003°
• γ: 87.302 ± 0.003°
• Cell volume: 3099 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1128
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes