Information card for entry 7232318

Structure parameters

• Chemical name: ethyl-N-(1-morpholinyl-1-thioxo-ethan-2-one)-carbamate
• Formula: C9 H14 N2 O4 S
• Calculated formula: C9 H14 N2 O4 S
• Title of publication: Sulfur, mercury, and boron adducts of sydnone imine derived anionic N-heterocyclic carbenes
• Authors of publication: Freese, Tyll; Namyslo, Jan C.; Nieger, Martin; Schmidt, Andreas
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 4781
• a: 23.9648 ± 0.0012 Å
• b: 6.5378 ± 0.0003 Å
• c: 14.6598 ± 0.0008 Å
• α: 90°
• β: 92.902 ± 0.001°
• γ: 90°
• Cell volume: 2293.9 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.0293
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No