Information card for entry 7063231

Structure parameters

• Formula: C17 H19 Cu N5 O
• Calculated formula: C17 H19 Cu N5 O
• SMILES: [Cu]12([N](=Cc3c(O1)ccc(c3)C)CC[NH]2Cc1ccccc1)N=N#N
• Title of publication: Investigation of the inherent characteristics of copper(ii) Schiff base complexes as antimicrobial agents
• Authors of publication: Mohammed, Thasnim P.; Thennarasu, Abinaya Sushana; Jothi, Ravi; Gowrishankar, Shanmugaraj; Velusamy, Marappan; Patra, Suman; Sankaralingam, Muniyandi
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 29
• Pages of publication: 12877 - 12892
• a: 13.7472 ± 0.0019 Å
• b: 28.684 ± 0.004 Å
• c: 8.5539 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3373 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1464
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No