Information card for entry 2221516

Structure parameters

• Chemical name: 2-[(3,5-Di-<i>tert</i>-butyl-4-hydroxybenzyl)sulfanyl]-<i>N</i>'- isopropylideneacetohydrazide
• Formula: C20 H32 N2 O2 S
• Calculated formula: C20 H32 N2 O2 S
• SMILES: S(Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)CC(=O)NN=C(C)C
• Title of publication: 2-[(3,5-Di-<i>tert</i>-butyl-4-hydroxybenzyl)sulfanyl]-<i>N</i>'-isopropylideneacetohydrazide
• Authors of publication: Yehye, Wagee A.; Ariffin, Azhar; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o730
• a: 30.8643 ± 0.001 Å
• b: 10.0128 ± 0.0003 Å
• c: 13.9596 ± 0.0005 Å
• α: 90°
• β: 96.227 ± 0.002°
• γ: 90°
• Cell volume: 4288.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes