Information card for entry 7063349

Structure parameters

• Chemical name: 1,1,1-trifluoro-N-((1E-{(2-iodomethyl)-3,3-dimethylbicyclo[2.2.1]hept-2-yl]amino}methylene)methansulfonamide
• Formula: C13 H20 F3 I N2 O2 S
• Calculated formula: C13 H20 F3 I N2 O2 S
• Title of publication: Halosulfonamidation of camphene: chemo and stereoselectivity, rearrangement, solvent interception, heterocyclization
• Authors of publication: Moskalik, Mikhail Yu.; Garagan, Ivan A.; Shainyan, Bagrat A.; Yarovaya, Olga I.; Ganin, Anton S.; Astakhova, Vera V.; Sterkhova, Irina V.; Zinchenko, Sergey V.; Salakhutdinov, Nariman F.; Radzhabov, Amirbek D.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 30
• Pages of publication: 13506 - 13513
• a: 32.242 ± 0.004 Å
• b: 7.9847 ± 0.0009 Å
• c: 13.5491 ± 0.0016 Å
• α: 90°
• β: 98.26 ± 0.004°
• γ: 90°
• Cell volume: 3451.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No