Information card for entry 2215124

Structure parameters

• Chemical name: (<i>E</i>)-2-(2-Anilinovinyl)-3,4-dimethylthiazol-3-ium iodide
• Formula: C13 H15 I N2 S
• Calculated formula: C13 H15 I N2 S
• SMILES: [I-].s1cc([n+](c1/C=C/Nc1ccccc1)C)C
• Title of publication: (<i>E</i>)-2-(2-Anilinovinyl)-3,4-dimethylthiazol-3-ium iodide
• Authors of publication: Ge, Chun-Hua; Guo, Zhi-Jun; Guo Yanan; Guan, Wei; Zhang, Xiang-Dong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3798 - o3798
• a: 15.83 ± 0.003 Å
• b: 11.3918 ± 0.0015 Å
• c: 16.787 ± 0.003 Å
• α: 90°
• β: 114.118 ± 0.011°
• γ: 90°
• Cell volume: 2763 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes