Information card for entry 2204069

Structure parameters

• Formula: C5 H11 N5 S2
• Calculated formula: C5 H11 N5 S2
• SMILES: [S-]C(=S)NC(=NC(N(C)C)=[NH2+])N
• Title of publication: N^1^,N^1^-Dimethyl-N^5^-dithiocarboxybiguanide
• Authors of publication: Tetsuzo Ito; Hiroshi Ohki; Takayuki Suyama
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: o1396 - o1397
• a: 7.979 ± 0.002 Å
• b: 11.888 ± 0.003 Å
• c: 10.618 ± 0.002 Å
• α: 90°
• β: 111.21 ± 0.01°
• γ: 90°
• Cell volume: 938.9 ± 0.4 ų
• Cell temperature: 296 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for all reflections included in the refinement: 0.0367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.713
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No