Information card for entry 7250581

Structure parameters

• Formula: C18 H18 Br2 Cl N O2 S
• Calculated formula: C18 H18 Br2 Cl N O2 S
• Title of publication: Selective synthesis of gem-dihalopiperidines and 4-halo-1,2,3,6-tetrahydropyridines from halogen substituted homoallylic benzenesulfonamides and aldehydes
• Authors of publication: Bora, Surjya Kumar; Saikia, Anil K.
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 27
• Pages of publication: 21257 - 21268
• a: 11.4025 ± 0.0012 Å
• b: 15.3012 ± 0.0015 Å
• c: 11.8426 ± 0.0012 Å
• α: 90°
• β: 112.487 ± 0.004°
• γ: 90°
• Cell volume: 1909.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No