Information card for entry 2242646

Structure parameters

• Chemical name: (<i>E</i>)-2-[3-(<i>tert</i>-Butyl)-2-hydroxybenzylidene]-<i>N</i>-cyclohexylhydrazine-1-carbothioamide
• Formula: C18 H27 N3 O S
• Calculated formula: C18 H27 N3 O S
• SMILES: S=C(N/N=C/c1c(O)c(ccc1)C(C)(C)C)NC1CCCCC1
• Title of publication: Crystal structure of (<i>E</i>)-2-[3-(<i>tert</i>-butyl)-2-hydroxybenzylidene]-<i>N</i>-cyclohexylhydrazine-1-carbothioamide
• Authors of publication: Arafath, Md. Azharul; Kwong, Huey Chong; Adam, Farook; Razali, Mohd. R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 10
• Pages of publication: 1460 - 1462
• a: 13.4168 ± 0.0006 Å
• b: 6.607 ± 0.0003 Å
• c: 20.5831 ± 0.0009 Å
• α: 90°
• β: 93.032 ± 0.001°
• γ: 90°
• Cell volume: 1822.03 ± 0.14 ų
• Cell temperature: 100 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: 0.035
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes