Information card for entry 7055273

Structure parameters

• Chemical name: (Z)-N'-(1-allyl-2-oxoindolin-3-ylidene)pyrrolidine-1-carbothiohydrazide
• Formula: C16 H18 N4 O S
• Calculated formula: C16 H18 N4 O S
• SMILES: S=C(N/N=C1/c2c(N(C1=O)CC=C)cccc2)N1CCCC1
• 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: 21.514 ± 0.019 Å
• b: 9.287 ± 0.007 Å
• c: 15.869 ± 0.012 Å
• α: 90°
• β: 107.718 ± 0.014°
• γ: 90°
• Cell volume: 3020 ± 4 ų
• Cell temperature: 110.15 K
• Ambient diffraction temperature: 110.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No