Information card for entry 2022246

Structure parameters

• Common name: N-(salicylidene)-3-amino-5-methyl-isoxazole
• Chemical name: (<i>E</i>)-2-{[(5-Methylisoxazol-3-yl)imino]methyl}phenol
• Formula: C11 H10 N2 O2
• Calculated formula: C11 H10 N2 O2
• SMILES: N(=C\c1ccccc1O)/c1cc(on1)C
• 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: 20.5584 ± 0.0007 Å
• b: 10.0468 ± 0.0004 Å
• c: 4.6417 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 958.73 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0808
• 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