Information card for entry 7157251

Structure parameters

• Formula: C13 H16 N2 O S
• Calculated formula: C13 H16 N2 O S
• Title of publication: Switching of regioselectivity in base-mediated diastereoselective annulation of 2,3-epoxy tosylates and their N-tosylaziridine analogs with 2-mercaptobenzimidazole.
• Authors of publication: Das, Arup Jyoti; Borgohain, Hemi; Sarma, Bipul; Das, Sajal Kumar
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 3
• Pages of publication: 441 - 449
• a: 6.3476 ± 0.0003 Å
• b: 13.4188 ± 0.0006 Å
• c: 15.2697 ± 0.0007 Å
• α: 90°
• β: 96.662 ± 0.003°
• γ: 90°
• Cell volume: 1291.85 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No