Information card for entry 7062898

Structure parameters

• Formula: C14 H16 N4 O3
• Calculated formula: C14 H16 N4 O3
• SMILES: c1cncc(/C(=N/NC(=O)c2ccc(cc2)OC)C)n1.O
• Title of publication: Synthesis, spectral characterization, and catalytic efficiency of aroylhydrazone-based Cu(ii) complexes
• Authors of publication: Nishana, Lahinakillathu; Sakthivel, Ayyamperumal; Kurup, M. R. Prathapachandra; Damodaran, Krishna K.; Kulandaisamy, Antonysamy; Maheswaran, Sithambaresan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 44
• Pages of publication: 20626 - 20641
• a: 7.126 ± 0.0003 Å
• b: 9.6741 ± 0.0004 Å
• c: 20.5984 ± 0.0008 Å
• α: 90°
• β: 93.455 ± 0.003°
• γ: 90°
• Cell volume: 1417.42 ± 0.1 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 4
• 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: 0.0813
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No