Information card for entry 2240502

Structure parameters

• Chemical name: 2-((1<i>E</i>)-{2-[Bis(2-methylbenzylsulfanyl)methylidene]hydrazin-1-ylidene}methyl)-6-methoxyphenol
• Formula: C25 H26 N2 O2 S2
• Calculated formula: C25 H26 N2 O2 S2
• SMILES: S(C(SCc1c(cccc1)C)=N/N=C/c1c(O)c(OC)ccc1)Cc1c(cccc1)C
• Title of publication: Crystal structure of 2-((1<i>E</i>)-{2-[bis(2-methylbenzylsulfanyl)methylidene]hydrazin-1-ylidene}methyl)-6-methoxyphenol
• Authors of publication: Yusof, Enis Nadia Md; Ravoof, Thahira Begum S. A.; Tahir, Mohamed Ibrahim Mohamed; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 4
• Pages of publication: o242 - o243
• a: 19.7865 ± 0.0007 Å
• b: 6.86 ± 0.0002 Å
• c: 16.1805 ± 0.0005 Å
• α: 90°
• β: 94.88 ± 0.003°
• γ: 90°
• Cell volume: 2188.31 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0371
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes