Information card for entry 2005961

Structure parameters

• Formula: C26 H18 Cl2 N2 S2
• Calculated formula: C26 H18 Cl2 N2 S2
• SMILES: Clc1ccc(cc1)/C=N/c1ccccc1SSc1ccccc1/N=C/c1ccc(cc1)Cl
• Title of publication: <i>N</i>,<i>N</i>'-Bis(4-chlorobenzylidene)-2,2'-diaminodiphenyl disulfide
• Authors of publication: İde, S.; Öztaş, G.; Ancin, N.; Tüzün, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 376 - 378
• a: 11.7998 ± 0.0012 Å
• b: 10.1564 ± 0.0011 Å
• c: 19.5352 ± 0.0018 Å
• α: 90°
• β: 93.41 ± 0.009°
• γ: 90°
• Cell volume: 2337 ± 0.4 ų
• Cell temperature: 293 ± 1 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 significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.045
• Goodness-of-fit parameter for significantly intense reflections: 0.71
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No