Information card for entry 7251376

Structure parameters

• Chemical name: S-benzyl-(N,N-dimethyl-carbonyl)carbamothioate
• Formula: C11 H14 N2 O2 S
• Calculated formula: C11 H14 N2 O2 S
• Title of publication: Base-mediated three-component system for the synthesis of <i>S</i>-substituted <i>N</i>-acyl ureas.
• Authors of publication: Shandu, Malibongwe P.; Ngwenya, Andile R.; Lamola, Jairus L.; Moshapo, Paseka T.
• Journal of publication: RSC advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 52
• Pages of publication: 44246 - 44251
• a: 5.8421 ± 0.0003 Å
• b: 9.9787 ± 0.0005 Å
• c: 10.4247 ± 0.0005 Å
• α: 90°
• β: 101.544 ± 0.002°
• γ: 90°
• Cell volume: 595.43 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No