Information card for entry 2200549

Structure parameters

• Chemical name: Bis(N-methyl-N-phenylthiocarbamoyl) disulfide
• Formula: C16 H16 N2 S4
• Calculated formula: C16 H16 N2 S4
• SMILES: S=C(SSC(=S)N(C)c1ccccc1)N(c1ccccc1)C
• Title of publication: Bis(<i>N</i>-methyl-<i>N</i>-phenylthiocarbamoyl) disulfide
• Authors of publication: Hoong-Kun Fun; Suchada Chantrapromma; Ibrahim Abdul Razak; Fengli Bei; Fangfang Jian; Xujie Yang; Lude Lu; Xin Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: o717 - o718
• a: 9.6233 ± 0.0002 Å
• b: 10.7356 ± 0.0002 Å
• c: 17.2999 ± 0.0003 Å
• α: 90°
• β: 91.624 ± 0.001°
• γ: 90°
• Cell volume: 1786.57 ± 0.06 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: 0.1166
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.2157
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes