Information card for entry 7055277

Structure parameters

• Chemical name: N'-(1-allyl-2-oxoindolin-3-ylidene)pyrrolidine-1-carbothiohydrazide) copper(II) complex
• Formula: C16 H17 Cl Cu N4 O S
• Calculated formula: C16 H17 Cl Cu N4 O S
• SMILES: [Cu]12([S]=C(N=[N]2c2c3c(n(c2O1)CC=C)cccc3)N1CCCC1)Cl
• Title of publication: Synthesis, X-ray crystal structure, DNA/protein binding and DNA cleavage studies of novel copper(ii) complexes of N-substituted isatin thiosemicarbazone ligands
• Authors of publication: Muralisankar, Mathiyan; Bhuvanesh, Nattamai S. P.; Sreekanth, Anandaram
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 3
• Pages of publication: 2661
• a: 8.984 ± 0.003 Å
• b: 9.757 ± 0.004 Å
• c: 10.524 ± 0.004 Å
• α: 105.822 ± 0.004°
• β: 98.341 ± 0.004°
• γ: 108.844 ± 0.004°
• Cell volume: 812 ± 0.5 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No