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Information card for entry 7055272
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Coordinates | 7055272.cif |
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Original paper (by DOI) | HTML |
Chemical name | N'-(2-oxoindolin-3-ylidene)pyrrolidine-1-carbothiohydrazide |
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Formula | C13 H16 N4 O2 S |
Calculated formula | C13 H16 N4 O2 S |
SMILES | S=C(N/N=C1/c2c(NC1=O)cccc2)N1CCCC1.O |
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 | 12.365 ± 0.009 Å |
b | 15.377 ± 0.011 Å |
c | 7.396 ± 0.005 Å |
α | 90° |
β | 104.715 ± 0.008° |
γ | 90° |
Cell volume | 1360.1 ± 1.7 Å3 |
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/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0469 |
Residual factor for significantly intense reflections | 0.0384 |
Weighted residual factors for significantly intense reflections | 0.093 |
Weighted residual factors for all reflections included in the refinement | 0.0974 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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