Information card for entry 2241235

Structure parameters

• Common name: 14245a
• Chemical name: (<i>N</i>-Methyl-<i>N</i>-phenylamino)(<i>N</i>-methyl-<i>N</i>-phenylcarbamoyl)disulfane
• Formula: C15 H16 N2 O S2
• Calculated formula: C15 H16 N2 O S2
• SMILES: S(SN(C)c1ccccc1)C(=O)N(c1ccccc1)C
• Title of publication: Crystal structures of (<i>N</i>-methyl-<i>N-</i>phenylamino)(<i>N</i>-methyl-<i>N</i>-phenylcarbamoyl)sulfide and the corresponding disulfane
• Authors of publication: Henley, Matthew J.; Schroll, Alayne L.; Young, Jr, Victor G.; Barany, George
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• Pages of publication: 1371 - 1374
• a: 16.0414 ± 0.0017 Å
• b: 5.5023 ± 0.0006 Å
• c: 17.2986 ± 0.0019 Å
• α: 90°
• β: 105.564 ± 0.001°
• γ: 90°
• Cell volume: 1470.9 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.0312
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes