Information card for entry 2236655

Structure parameters

• Chemical name: <i>N</i>-(2,6-Diisopropylphenyl)thioamide
• Formula: C13 H19 N S
• Calculated formula: C13 H19 N S
• SMILES: c1(c(cccc1C(C)C)C(C)C)NC=S
• Title of publication: <i>N</i>-(2,6-Diisopropylphenyl)thioamide
• Authors of publication: Omondi, Bernard; Levendis, Demetrius C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2604
• a: 9.023 ± 0.0012 Å
• b: 9.367 ± 0.0012 Å
• c: 16.269 ± 0.002 Å
• α: 90°
• β: 101.453 ± 0.003°
• γ: 90°
• Cell volume: 1347.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1034
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes