Information card for entry 7239006

Structure parameters

• Chemical name: S-3-benzyl-4-methyl-1,3-oxazolidine-2-thione, compound 11
• Formula: C11 H13 N O S
• Calculated formula: C11 H13 N O S
• Title of publication: Activation and regioselectivity of five-membered cyclic thionocarbamates to nucleophilic attack
• Authors of publication: Awheda, Ismail; Saygili, Nezire; Garner, A. Christopher; Wallis, John D.
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 47
• Pages of publication: 24997
• a: 19.5407 ± 0.0009 Å
• b: 8.005 ± 0.0004 Å
• c: 6.7851 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1061.35 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No