Information card for entry 2236632

Structure parameters

• Chemical name: 4-Bromo-2-[(<i>E</i>)-(2-{2-[(2-{[(<i>E</i>)-5-bromo-2-hydroxybenzylidene]amino}phenyl)sulfanyl]ethylsulfanyl}phenyl)iminomethyl]phenol
• Formula: C28 H22 Br2 N2 O2 S2
• Calculated formula: C28 H22 Br2 N2 O2 S2
• SMILES: Brc1ccc(c(c1)/C=N/c1ccccc1SCCSc1ccccc1/N=C/c1cc(Br)ccc1O)O
• Title of publication: 4-Bromo-2-[(<i>E</i>)-(2-{2-[(2-{[(<i>E</i>)-5-bromo-2-hydroxybenzylidene]amino}phenyl)sulfanyl]ethylsulfanyl}phenyl)iminomethyl]phenol
• Authors of publication: Kargar, Hadi; Kia, Reza; Tahir, Muhammad Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2635
• a: 13.9124 ± 0.0018 Å
• b: 5.4112 ± 0.0007 Å
• c: 17.409 ± 0.002 Å
• α: 90°
• β: 92.444 ± 0.007°
• γ: 90°
• Cell volume: 1309.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1627
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes