Information card for entry 2205673

Structure parameters

• Chemical name: N,N'-Bis[2-(dimethylamino)ethyl]dithiooxamide
• Formula: C10 H22 N4 S2
• Calculated formula: C10 H22 N4 S2
• SMILES: CN(CCNC(=S)C(=S)NCCN(C)C)C
• Title of publication: <i>N</i>,<i>N</i>'-Bis[2-(dimethylamino)ethyl]dithiooxamide
• Authors of publication: Cui, Jian-Zhong; Zhang, Dan; Zhang, Hong; Pan, Shuo-Wen; Cheng, Peng; Liao, Dai-Zheng; Wang, Geng-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1496 - o1497
• a: 9.964 ± 0.002 Å
• b: 7.284 ± 0.0016 Å
• c: 11.462 ± 0.003 Å
• α: 90°
• β: 110.917 ± 0.003°
• γ: 90°
• Cell volume: 777.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0793
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No