Information card for entry 2235677

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis[(1<i>H</i>-imidazol-1-yl)methyl]-2,2'- (disulfanediyl)dianiline
• Formula: C20 H20 N6 S2
• Calculated formula: C20 H20 N6 S2
• SMILES: S(Sc1c(NCn2nccc2)cccc1)c1c(NCn2nccc2)cccc1
• Title of publication: <i>N</i>,<i>N</i>'-Bis[(1<i>H</i>-imidazol-1-yl)methyl]-2,2'-(disulfanediyl)dianiline
• Authors of publication: Lee, Hon Man; Hsieh, Chang-Chih; Horng, Yih-Chern
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2051
• a: 11.2009 ± 0.001 Å
• b: 11.6067 ± 0.001 Å
• c: 15.523 ± 0.0014 Å
• α: 90°
• β: 97.162 ± 0.002°
• γ: 90°
• Cell volume: 2002.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0496
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes