Information card for entry 2022247

Structure parameters

• Common name: N-(3,5-ditertbutylsalicylidene)-3-aminoisoxazole
• Chemical name: (<i>E</i>)-2,4-Di-<i>tert</i>-butyl-6-{[(isoxazol-3-yl)imino]methyl}phenol
• Formula: C18 H24 N2 O2
• Calculated formula: C18 H24 N2 O2
• Title of publication: Synthesis and structures of three isoxazole-containing Schiff bases
• Authors of publication: Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 9
• Pages of publication: 927 - 931
• a: 10.8955 ± 0.0005 Å
• b: 10.9571 ± 0.0004 Å
• c: 14.8329 ± 0.0006 Å
• α: 82.335 ± 0.003°
• β: 88.326 ± 0.004°
• γ: 75.178 ± 0.003°
• Cell volume: 1696.56 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes