Information card for entry 2232623

Structure parameters

• Chemical name: 2-{[4-(Dimethylamino)benzylidene]amino}phenyl disulfide
• Formula: C30 H30 N4 S2
• Calculated formula: C30 H30 N4 S2
• SMILES: S(Sc1ccccc1/N=C/c1ccc(N(C)C)cc1)c1ccccc1/N=C/c1ccc(N(C)C)cc1
• Title of publication: 2-{[4-(Dimethylamino)benzylidene]amino}phenyl disulfide
• Authors of publication: He, Qing-Peng; Dai, Li; Tan, Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3240
• a: 10.673 ± 0.001 Å
• b: 22.906 ± 0.002 Å
• c: 11.2939 ± 0.0011 Å
• α: 90°
• β: 95.784 ± 0.001°
• γ: 90°
• Cell volume: 2747 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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 all reflections: 0.129
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 0.834
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes