Information card for entry 7055275

Structure parameters

• Chemical name: N'-(2-oxo-1-pentylindolin-3-ylidene)pyrrolidine-1-carbothiohydrazide
• Formula: C18 H24 N4 O S
• Calculated formula: C18 H24 N4 O S
• SMILES: S=C(N/N=C1/c2c(N(C1=O)CCCCC)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: 8.352 ± 0.006 Å
• b: 8.874 ± 0.006 Å
• c: 13.617 ± 0.009 Å
• α: 79.406 ± 0.007°
• β: 81.424 ± 0.007°
• γ: 64.639 ± 0.007°
• Cell volume: 893.6 ± 1.1 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No