Information card for entry 2221279

Structure parameters

• Chemical name: 2'-Amino-1'-(4-chlorophenyl)-1,7',7'-trimethyl-2,5'-dioxo-5',6',7',8'- tetrahydrospiro[indoline-3,4'(1'<i>H</i>)-quinoline]-3'-carbonitrile dimethylformamide solvate dihydrate
• Formula: C29 H34 Cl N5 O5
• Calculated formula: C29 H34 Cl N5 O5
• SMILES: Clc1ccc(N2C3=C(C4(C(=C2N)C#N)C(=O)N(c2ccccc42)C)C(=O)CC(C3)(C)C)cc1.O=CN(C)C.O.O
• Title of publication: 2'-Amino-1'-(4-chlorophenyl)-1,7',7'-trimethyl-2,5'-dioxo-5',6',7',8'-tetrahydrospiro[indoline-3,4'(1'<i>H</i>)-quinoline]-3'-carbonitrile dimethylformamide solvate dihydrate
• Authors of publication: Wang, Jing; Zhu, Song-Lei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o875
• a: 9.237 ± 0.001 Å
• b: 12.9553 ± 0.0017 Å
• c: 14.4554 ± 0.0011 Å
• α: 66.162 ± 0.011°
• β: 71.619 ± 0.012°
• γ: 84.595 ± 0.015°
• Cell volume: 1500.5 ± 0.3 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: 0.0868
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes