Dichlorido{(E)-N,N-dimethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamide}cadmium(II)
The structure of the title compound, [CdCl2(C15H16N4S)], at 100 K has monoclinic (P21/c) symmetry. The compound has a layer structure and is a 1:1 complex of the organic ligand and cadmium chloride. The ligand, 3,3-dimethyl-1-[(E)-[phenyl(pyridine-2-yl)methylidene]amino]thiourea (L, Bp44mT), is of i...
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International Union of Crystallography
2025-05-01
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| Online Access: | https://journals.iucr.org/paper?S241431462500464X |
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| author | Christian S. Parry Bernard Kwabi-Addo Timothy R. Ramadhar Raymond J. Butcher |
| author_facet | Christian S. Parry Bernard Kwabi-Addo Timothy R. Ramadhar Raymond J. Butcher |
| author_sort | Christian S. Parry |
| collection | DOAJ |
| description | The structure of the title compound, [CdCl2(C15H16N4S)], at 100 K has monoclinic (P21/c) symmetry. The compound has a layer structure and is a 1:1 complex of the organic ligand and cadmium chloride. The ligand, 3,3-dimethyl-1-[(E)-[phenyl(pyridine-2-yl)methylidene]amino]thiourea (L, Bp44mT), is of interest with respect to anticancer activity, antiviral properties and potential use in conditions of iron overload, from hemochromatosis or from multiple transfusions in hematological disorders such as sickle cell disease or beta thalassemia. This study is aimed at uncovering the basis of selectivity of the ligand as a chelator and for lead optimization. We also examine the ligand's potential use in treating heavy metal poisoning from cadmium, arsenic, lead or mercury, and for environmental remediation. The crystal structure exhibits no intermolecular or intramolecular hydrogen bonding with the supramolecular features being driven by hydrophobic, π–π and long-range dispersion forces. |
| format | Article |
| id | doaj-art-4fcfac72797e440c9d07db49e301f7ef |
| institution | OA Journals |
| issn | 2414-3146 |
| language | English |
| publishDate | 2025-05-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | IUCrData |
| spelling | doaj-art-4fcfac72797e440c9d07db49e301f7ef2025-08-20T02:32:12ZengInternational Union of CrystallographyIUCrData2414-31462025-05-01105x25046410.1107/S241431462500464Xbt4171Dichlorido{(E)-N,N-dimethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamide}cadmium(II)Christian S. Parry0Bernard Kwabi-Addo1Timothy R. Ramadhar2Raymond J. Butcher3Department of Microbiology, College of Medicine, Howard University, Washington, DC 20059, USADepartment of Biochemistry, College of Medicine, Howard University, Washington, DC 20059, USADepartment of Chemistry, College of Arts and Science, Howard University, Washington, DC 20059, USADepartment of Chemistry, College of Arts and Science, Howard University, Washington, DC 20059, USAThe structure of the title compound, [CdCl2(C15H16N4S)], at 100 K has monoclinic (P21/c) symmetry. The compound has a layer structure and is a 1:1 complex of the organic ligand and cadmium chloride. The ligand, 3,3-dimethyl-1-[(E)-[phenyl(pyridine-2-yl)methylidene]amino]thiourea (L, Bp44mT), is of interest with respect to anticancer activity, antiviral properties and potential use in conditions of iron overload, from hemochromatosis or from multiple transfusions in hematological disorders such as sickle cell disease or beta thalassemia. This study is aimed at uncovering the basis of selectivity of the ligand as a chelator and for lead optimization. We also examine the ligand's potential use in treating heavy metal poisoning from cadmium, arsenic, lead or mercury, and for environmental remediation. The crystal structure exhibits no intermolecular or intramolecular hydrogen bonding with the supramolecular features being driven by hydrophobic, π–π and long-range dispersion forces.https://journals.iucr.org/paper?S241431462500464Xcrystal structurepost-industrial pollutionriverways and food chainthiosemicarbazone heterocycle ligandsheavy metals |
| spellingShingle | Christian S. Parry Bernard Kwabi-Addo Timothy R. Ramadhar Raymond J. Butcher Dichlorido{(E)-N,N-dimethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamide}cadmium(II) IUCrData crystal structure post-industrial pollution riverways and food chain thiosemicarbazone heterocycle ligands heavy metals |
| title | Dichlorido{(E)-N,N-dimethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamide}cadmium(II) |
| title_full | Dichlorido{(E)-N,N-dimethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamide}cadmium(II) |
| title_fullStr | Dichlorido{(E)-N,N-dimethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamide}cadmium(II) |
| title_full_unstemmed | Dichlorido{(E)-N,N-dimethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamide}cadmium(II) |
| title_short | Dichlorido{(E)-N,N-dimethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamide}cadmium(II) |
| title_sort | dichlorido e n n dimethyl 2 phenyl pyridin 2 yl methylidene hydrazine 1 carbothioamide cadmium ii |
| topic | crystal structure post-industrial pollution riverways and food chain thiosemicarbazone heterocycle ligands heavy metals |
| url | https://journals.iucr.org/paper?S241431462500464X |
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