Information card for entry 7160126

Structure parameters

• Formula: C21 H17 Cl N2 S
• Calculated formula: C21 H17 Cl N2 S
• Title of publication: A benzimidazole-based Cu(ii) complex catalyzed site-selective C–H sulfenylation of imidazo-[1,2-a]pyridines using CS2 as a sulfur source
• Authors of publication: Ghosh, Kingkar; Ghosh, Narendra Nath; Choudhury, Prasun; Bhattacharjee, Subham; Saha, Rajat; Deb, Mayukh; Biswas, Kinkar
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 38
• Pages of publication: 7791 - 7800
• a: 7.7958 ± 0.0009 Å
• b: 11.076 ± 0.0019 Å
• c: 11.1247 ± 0.0014 Å
• α: 101.374 ± 0.007°
• β: 107.36 ± 0.006°
• γ: 90.842 ± 0.008°
• Cell volume: 896 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0795
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1489
• Weighted residual factors for all reflections included in the refinement: 0.1963
• Goodness-of-fit parameter for all reflections included in the refinement: 0.746
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No