title: Coordination mode of pentadentate ligand derivative of 5-amino-1,3,4-thiadiazole-2-thiol with nickel(II) and copper(II) metal ions: synthesis, spectroscopic characterization, molecular modeling and fungicidal study.
abstract: Complexes of nickel(II), and copper(II) were synthesized with pantadentate ligand i.e. 3,3'-thiodipropionicacid-bis(5-amino-1,3,4-thiadiazole-2-thiol) (L). The ligand was synthesized by the condensation of thiodipropionic acid and 5-amino-1,3,4-thiadiazole-2-thiol in 1:2 ratio, respectively. Synthesized ligand was characterized by elemental analysis, mass, (1)H NMR, IR, and molecular modeling. All the complexes were characterized by elemental analysis, molar conductance, magnetic moment, IR, electronic spectra, ESR, and molecular modeling. The newly synthesized complexes possessed general composition [M(L)X2] where M = Ni(II), Cu(II), L = pantadentate ligand and X = Cl(-), CH3COO(-). The IR spectral data indicated that the ligand behaved as a pantadentate ligand and coordinated to the metal ion through N2S3 donor atoms. The molar conductance value of Ni(II), and Cu(II) complexes in DMSO corresponded to their electrolytic behavior. On the basis of spectral study, octahedral and tetragonal geometry was assigned for Ni(II) and Cu(II) complexes, respectively. In vitro fungicidal study of ligand and its complexes was investigated against fungi Candida albicans, Candida parapsilosis, Candidia krusei, and Candida tropicalis by means of well diffusion method.
authors.affiliation: Department of Chemistry, Zakir Husain Delhi College, University of Delhi, JLN Marg, New Delhi 110002, India. Electronic address: schandra_00@yahoo.com.
authors.forename: Sulekh
authors.initials: S
authors.lastname: Chandra
authors.affiliation: Department of Chemistry, Zakir Husain Delhi College, University of Delhi, JLN Marg, New Delhi 110002, India. Electronic address: seemachem.gautam@gmail.com.
authors.forename: Seema
authors.initials: S
authors.lastname: Gautam
authors.affiliation: Department of Chemistry, Dayal Singh College, University of Delhi, New Delhi 110003, India.
authors.forename: Amit
authors.initials: A
authors.lastname: Kumar
authors.affiliation: Department of Microbiology, Subharti Medical College, Swami Vivekanand Subharti University, Meerut 250002, UP, India.
authors.forename: Molly
authors.initials: M
authors.lastname: Madan
mesh_terms: D000586:Amination; D000935:Antifungal Agents / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D002175:Candida / Q000187:drug effects; D002177:Candidiasis / Q000188:drug therapy; D056831:Coordination Complexes / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D003300:Copper / Q000737:chemistry* / Q000494:pharmacology; D004578:Electron Spin Resonance Spectroscopy; D006801:Humans; D009682:Magnetic Resonance Spectroscopy; D008826:Microbial Sensitivity Tests; D008958:Models, Molecular; D009532:Nickel / Q000737:chemistry* / Q000494:pharmacology; D013055:Spectrophotometry, Infrared; D013438:Sulfhydryl Compounds / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D013830:Thiadiazoles / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology
chemical_list: D000935:Antifungal Agents; D056831:Coordination Complexes; D013438:Sulfhydryl Compounds; D013830:Thiadiazoles; C058949:1,3,4-thiadiazole; D003300:Copper; D009532:Nickel
keywords: 5-Amino-1,3,4-thiadiazole-2-thiol; Fungicidal; Molecular modeling; Octahedral; Pantadentate; Tetragonal