Information card for entry 4036221

Structure parameters

• Formula: C23 H19 Cl F N O2 S
• Calculated formula: C23 H19 Cl F N O2 S
• SMILES: Clc1ccc(C2Nc3ccccc3C(=O)C=2c2cccc(F)c2)cc1.S(=O)(C)C
• Title of publication: Transition-Metal-Free C-3 Arylation of Quinoline-4-ones with Arylhydrazines.
• Authors of publication: Ravi, Makthala; Chauhan, Parul; Kant, Ruchir; Shukla, Sanjeev K.; Yadav, Prem P.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 10
• Pages of publication: 5369 - 5376
• a: 9.639 ± 0.0014 Å
• b: 11.5016 ± 0.0015 Å
• c: 11.5355 ± 0.0017 Å
• α: 62.617 ± 0.008°
• β: 79.921 ± 0.011°
• γ: 66.237 ± 0.009°
• Cell volume: 1039.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No