Information card for entry 2223075

Structure parameters

• Chemical name: 2,4-Disulfanyl-6-[(<i>E</i>)-(2-sulfanylbenzyl)iminomethyl]phenol
• Formula: C14 H13 N O S3
• Calculated formula: C14 H13 N O S3
• SMILES: c1c(c(c(cc1S)/C=N/Cc1c(cccc1)S)O)S
• Title of publication: 2,4-Disulfanyl-6-[(<i>E</i>)-(2-sulfanylbenzyl)iminomethyl]phenol
• Authors of publication: Cui, Yong-Ming; Dai, Xi-Bin; Lei, Lei; Zeng, Qing-Fu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2179
• a: 11.9763 ± 0.0013 Å
• b: 8.2333 ± 0.0013 Å
• c: 14.2213 ± 0.0013 Å
• α: 90°
• β: 98.723 ± 0.003°
• γ: 90°
• Cell volume: 1386.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0597
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes