Information card for entry 2214720

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Diisopentyldithiooxamide
• Formula: C12 H24 N2 S2
• Calculated formula: C12 H24 N2 S2
• SMILES: CC(CCNC(=S)C(=S)NCCC(C)C)C
• Title of publication: <i>N</i>,<i>N</i>'-Diisopentyldithiooxamide
• Authors of publication: Bruno, Giuseppe; Rotondo, Archimede; Nicoló, Francesco; Lanza, Santo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3595 - o3596
• a: 4.7658 ± 0.0009 Å
• b: 6.0323 ± 0.0009 Å
• c: 14.47 ± 0.002 Å
• α: 83.082 ± 0.014°
• β: 85.919 ± 0.015°
• γ: 70.427 ± 0.015°
• Cell volume: 388.89 ± 0.11 ų
• Cell temperature: 571 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes