Information card for entry 1553757

Structure parameters

• Formula: C16 H12 Cl N O
• Calculated formula: C16 H12 Cl N O
• SMILES: c1cccc2c1C1(C(=O)N2c2ccc(cc2)Cl)CC1
• Title of publication: Organoiodine reagent-promoted intermolecular oxidative amination: synthesis of cyclopropyl spirooxindoles
• Authors of publication: Zhang, Zhiguo; Zhang, Yongchao; Huang, Guoqing; Zhang, Guisheng
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 7
• Pages of publication: 1372
• a: 9.0611 ± 0.0006 Å
• b: 7.1551 ± 0.0004 Å
• c: 20.5051 ± 0.0018 Å
• α: 90°
• β: 93.684 ± 0.006°
• γ: 90°
• Cell volume: 1326.66 ± 0.16 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: 0.054
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No