Information card for entry 7055274

Structure parameters

• Chemical name: N'-(1-benzyl-2-oxoindolin-3-ylidene)pyrrolidine-1-carbothiohydrazide
• Formula: C20 H20 N4 O S
• Calculated formula: C20 H20 N4 O S
• SMILES: S=C(N/N=C1/c2c(N(C1=O)Cc1ccccc1)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: 8.009 ± 0.0017 Å
• b: 19.621 ± 0.004 Å
• c: 11.51 ± 0.003 Å
• α: 90°
• β: 94.636 ± 0.002°
• γ: 90°
• Cell volume: 1802.8 ± 0.7 ų
• Cell temperature: 110.15 K
• Ambient diffraction temperature: 110.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0962
• 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