Information card for entry 2227614

Structure parameters

• Chemical name: (<i>Z</i>)-<i>N</i>-[3-(Phenylsulfonyl)thiazolidin-2-ylidene]cyanamide
• Formula: C10 H9 N3 O2 S2
• Calculated formula: C10 H9 N3 O2 S2
• SMILES: S(=O)(=O)(N1CCSC\1=N/C#N)c1ccccc1
• Title of publication: (<i>Z</i>)-<i>N</i>-[3-(Phenylsulfonyl)thiazolidin-2-ylidene]cyanamide
• Authors of publication: Hou, Jian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2871
• a: 15.186 ± 0.002 Å
• b: 15.186 ± 0.002 Å
• c: 19.858 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4579.5 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.255
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes