Information card for entry 2216728

Structure parameters

• Chemical name: N-Benzylthioformamide
• Formula: C8 H9 N S
• Calculated formula: C8 H9 N S
• SMILES: S=CNCc1ccccc1
• Title of publication: <i>N</i>-Benzylthioformamide
• Authors of publication: Śmiszek-Lindert, Wioleta; Nowak, Maria; Kusz, Joachim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4587 - o4587
• a: 17.421 ± 0.004 Å
• b: 9.5509 ± 0.0019 Å
• c: 9.6729 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1609.4 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes