Information card for entry 4037208

Structure parameters

• Formula: C20 H15 Cl N2 S
• Calculated formula: C20 H15 Cl N2 S
• SMILES: S(c1c(nc2n1cccc2)c1ccc(Cl)cc1)c1ccc(cc1)C
• Title of publication: Copper-Catalyzed Three-Component System for Arylsulfenylation of Imidazopyridines with Elemental Sulfur.
• Authors of publication: Ravi, Chitrakar; Reddy, N. Naresh Kumar; Pappula, Venkatanarayana; Samanta, Supravat; Adimurthy, Subbarayappa
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 20
• Pages of publication: 9964 - 9972
• a: 12.126 ± 0.01 Å
• b: 5.863 ± 0.005 Å
• c: 24.164 ± 0.019 Å
• α: 90°
• β: 103.359 ± 0.013°
• γ: 90°
• Cell volume: 1671 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1208
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.1788
• Weighted residual factors for all reflections included in the refinement: 0.1906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No