Information card for entry 2225959

Structure parameters

• Chemical name: 1-[(2-Chloro-3-quinolyl)methyl]indoline-2,3-dione
• Formula: C18 H11 Cl N2 O2
• Calculated formula: C18 H11 Cl N2 O2
• SMILES: Clc1nc2c(cc1CN1c3c(cccc3)C(=O)C1=O)cccc2
• Title of publication: 1-[(2-Chloro-3-quinolyl)methyl]indoline-2,3-dione
• Authors of publication: Khan, F. Nawaz; Mohana Roopan, S.; Kone, Sriramakrishnaswamy; Hathwar, Venkatesha R.; Khawar Rauf, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1141
• a: 21.4984 ± 0.0008 Å
• b: 5.3061 ± 0.0002 Å
• c: 13.0356 ± 0.0004 Å
• α: 90°
• β: 99.718 ± 0.003°
• γ: 90°
• Cell volume: 1465.67 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes