Information card for entry 2217226

Structure parameters

• Chemical name: (<i>Z</i>)-<i>N</i>-[2-(Dimethylammonio)ethyl]thioacetamide chloride
• Formula: C6 H15 Cl N2 S
• Calculated formula: C6 H15 Cl N2 S
• SMILES: [Cl-].[NH+](C)(C)CCNC(=S)C
• Title of publication: (<i>Z</i>)-<i>N</i>-[2-(Dimethylammonio)ethyl]thioacetamide chloride
• Authors of publication: Dutkiewicz, Grzegorz; Borowiak, Teresa; Spychała, Jarosław
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o229 - o229
• a: 5.9935 ± 0.0002 Å
• b: 7.7461 ± 0.0003 Å
• c: 10.8253 ± 0.0004 Å
• α: 79.489 ± 0.003°
• β: 79.796 ± 0.003°
• γ: 87.863 ± 0.003°
• Cell volume: 486.32 ± 0.03 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes