Information card for entry 2001236

Structure parameters

• Chemical name: N,N'-dimethylpiperazine-2,3-dithione
• Formula: C6 H10 N2 S2
• Calculated formula: C6 H10 N2 S2
• SMILES: CN1CCN(C(=S)C1=S)C
• Title of publication: Structure of <i>N</i>,<i>N</i>'-dimethylpiperazine-2,3-dithione: space group correction
• Authors of publication: De Ridder, D. J. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 1975 - 1976
• a: 10.653 ± 0.001 Å
• b: 7.2936 ± 0.0006 Å
• c: 10.6398 ± 0.0009 Å
• α: 90°
• β: 95.26 ± 0.01°
• γ: 90°
• Cell volume: 823.22 ± 0.12 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: A 1 2/a 1
• Hall space group symbol: -A 2ya
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.07
• Goodness-of-fit parameter for all reflections: 1.18
• Goodness-of-fit parameter for significantly intense reflections: 1.167
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CopperKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No