Information card for entry 7135540

Structure parameters

• Formula: C16 H12 Cl N O2 S
• Calculated formula: C16 H12 Cl N O2 S
• Title of publication: DABCO-directed EDA-complex mediated regioselective C4-sulfonylation of quinoline <i>N</i>-oxide.
• Authors of publication: Barik, Dinabandhu; Panigrahi, Pritishree; Manna, Supriya; Chakraborty, Nikita; Phouzder, Anushka; Patel, Bhisma K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 9
• Pages of publication: 3037 - 3040
• a: 7.5367 ± 0.0004 Å
• b: 10.6159 ± 0.0005 Å
• c: 19.4914 ± 0.0009 Å
• α: 100.908 ± 0.001°
• β: 99.555 ± 0.001°
• γ: 102.92 ± 0.001°
• Cell volume: 1456.76 ± 0.12 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0987
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1648
• Weighted residual factors for all reflections included in the refinement: 0.1925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No