Information card for entry 7055276

Structure parameters

• Chemical name: N'-(2-oxo-1-(prop-2-yn-1-yl)indolin-3-ylidene)pyrrolidine-1-carbothiohydrazide
• Formula: C16 H16 N4 O S
• Calculated formula: C16 H16 N4 O S
• SMILES: S=C(N1CCCC1)N/N=C1/c2c(N(CC#C)C1=O)cccc2
• 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: 21.496 ± 0.008 Å
• b: 9.118 ± 0.003 Å
• c: 15.908 ± 0.005 Å
• α: 90°
• β: 108.156 ± 0.006°
• γ: 90°
• Cell volume: 2962.7 ± 1.7 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: 0.0345
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No