Information card for entry 2227870

Structure parameters

• Chemical name: [(Methylcarbamothioyl)disulfanyl]methyl <i>N</i>-methylcarbamodithioate
• Formula: C5 H10 N2 S5
• Calculated formula: C5 H10 N2 S5
• SMILES: S=C(SSCSC(=S)NC)NC
• Title of publication: [(Methylcarbamothioyl)disulfanyl]methyl <i>N</i>-methylcarbamodithioate
• Authors of publication: Khan, Hizbullah; Aziz, Muhammad; Neuhausen, Christine; Murtaza, Ghulam; Shaheen, Farkhanda
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2671
• a: 7.188 ± 0.001 Å
• b: 7.884 ± 0.002 Å
• c: 10.219 ± 0.002 Å
• α: 101.23 ± 0.03°
• β: 96.85 ± 0.03°
• γ: 102.74 ± 0.03°
• Cell volume: 546 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes