Information card for entry 2023082

Structure parameters

• Chemical name: (1<i>H</i>-Imidazole-κ<i>N</i>^3^)[4-methyl-2-({[2-oxido-5-(2-phenyldiazen-1-yl)phenyl]methylidene}amino)pentanoate-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II)
• Formula: C22 H23 Cu N5 O3
• Calculated formula: C22 H23 Cu N5 O3
• Title of publication: Crystal structure and Hirshfeld surface analysis of (1H-imidazole-κN 3)[4-methyl-2-({[2-oxido-5-(2-phenyldiazen-1-yl)phenyl]methylidene}amino)pentanoate-κ3 O,N,O′]copper(II)
• Authors of publication: Kaneda, Ai; Suzuki, Soma; Nakane, Daisuke; Kashiwagi, Yukiyasu; Akitsu, Takashiro
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 5
• a: 8.2816 ± 0.0002 Å
• b: 17.4856 ± 0.0003 Å
• c: 14.9186 ± 0.0003 Å
• α: 90°
• β: 104.478 ± 0.002°
• γ: 90°
• Cell volume: 2091.74 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No