Information card for entry 2225888

Structure parameters

• Chemical name: (<i>Z</i>)-<i>N</i>-(3-Nicotinoyl-1,3-thiazolidin-2-ylidene)cyanamide
• Formula: C10 H8 N4 O S
• Calculated formula: C10 H8 N4 O S
• SMILES: S1CCN(C(=O)c2cccnc2)/C1=N/C#N
• Title of publication: (<i>Z</i>)-<i>N</i>-(3-Nicotinoyl-1,3-thiazolidin-2-ylidene)cyanamide
• Authors of publication: Xie, Yun-Man; Li, Yu-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1158
• a: 5.918 ± 0.0012 Å
• b: 15.182 ± 0.003 Å
• c: 11.448 ± 0.002 Å
• α: 90°
• β: 94.62 ± 0.03°
• γ: 90°
• Cell volume: 1025.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0469
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes