Information card for entry 2226802

Structure parameters

• Chemical name: (<i>Z</i>)-2-(1,3-Thiazolidin-2-ylidene)cyanamide
• Formula: C4 H5 N3 S
• Calculated formula: C4 H5 N3 S
• SMILES: S1CCN/C1=N/C#N
• Title of publication: (<i>Z</i>)-2-(1,3-Thiazolidin-2-ylidene)cyanamide
• Authors of publication: Chen, Xiao-tao; Xu, Liang-zhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2148
• a: 6.4556 ± 0.0013 Å
• b: 6.5584 ± 0.0013 Å
• c: 6.791 ± 0.0014 Å
• α: 83.28 ± 0.03°
• β: 81.53 ± 0.03°
• γ: 82.12 ± 0.03°
• Cell volume: 280.32 ± 0.1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes