Information card for entry 7154915

Structure parameters

• Formula: C15 H13 Cl N2 S
• Calculated formula: C15 H13 Cl N2 S
• SMILES: Clc1ccc(cc1)c1nc2n(cc(cc2)C)c1SC
• Title of publication: Dual role of p-tosylchloride: copper-catalyzed sulfenylation and metal free methylthiolation of imidazo[1,2-a]pyridines.
• Authors of publication: Ravi, Chitrakar; Chandra Mohan, Darapaneni; Adimurthy, Subbarayappa
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 2282 - 2290
• a: 8.8629 ± 0.001 Å
• b: 9.1256 ± 0.001 Å
• c: 10.0677 ± 0.0011 Å
• α: 64.158 ± 0.002°
• β: 68.43 ± 0.002°
• γ: 81.687 ± 0.002°
• Cell volume: 681.4 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0352
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No