Information card for entry 2221375

Structure parameters

• Chemical name: (<i>Z</i>)-(1,3-Thiazinan-2-ylideneamino)formonitrile
• Formula: C5 H7 N3 S
• Calculated formula: C5 H7 N3 S
• SMILES: S1CCCN/C1=N/C#N
• Title of publication: (<i>Z</i>)-(1,3-Thiazinan-2-ylideneamino)formonitrile
• Authors of publication: Peng, Yu-wen; Wu, Lin-hai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o784
• a: 7.0931 ± 0.0014 Å
• b: 12.689 ± 0.003 Å
• c: 9.232 ± 0.003 Å
• α: 90°
• β: 128.617 ± 0.019°
• γ: 90°
• Cell volume: 649.2 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0701
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.185
• Weighted residual factors for all reflections included in the refinement: 0.1917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes