Information card for entry 7250582

Structure parameters

• Formula: C19 H21 Br Cl N O2 S
• Calculated formula: C19 H21 Br 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: 20.319 ± 0.004 Å
• b: 10.44 ± 0.002 Å
• c: 9.3782 ± 0.0019 Å
• α: 90°
• β: 100.424 ± 0.006°
• γ: 90°
• Cell volume: 1956.6 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No