{"data":{"id":"10.6084/m9.figshare.c.3142582.v2","type":"dois","attributes":{"doi":"10.6084/m9.figshare.c.3142582.v2","prefix":"10.6084","suffix":"m9.figshare.c.3142582.v2","identifiers":[],"alternateIdentifiers":[],"creators":[{"name":"G. Y. S. K. Swamy","affiliation":[],"nameIdentifiers":[]},{"name":"P. Sivanarayanan","affiliation":[],"nameIdentifiers":[]},{"name":"B. Sridhar","affiliation":[],"nameIdentifiers":[]},{"name":"Laxmikanth Rao Joshi","affiliation":[],"nameIdentifiers":[]}],"titles":[{"title":"Crystal structure studies and antimicrobial activities of transition metal complexes of pyridine-2,6-dicarboxylic acid and imidazole containing water clusters"}],"publisher":"Figshare","container":{},"publicationYear":2016,"subjects":[{"subject":"Biophysics"},{"subject":"Biochemistry"},{"subject":"29999 Physical Sciences not elsewhere classified","subjectScheme":"FOR"},{"subject":"FOS: Physical sciences","schemeUri":"http://www.oecd.org/science/inno/38235147.pdf","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"FOS: Physical sciences","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"Medicine"},{"subject":"Microbiology"},{"subject":"FOS: Biological sciences","schemeUri":"http://www.oecd.org/science/inno/38235147.pdf","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"FOS: Biological sciences","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"Cell Biology"},{"subject":"Biotechnology"},{"subject":"59999 Environmental Sciences not elsewhere classified","subjectScheme":"FOR"},{"subject":"FOS: Earth and related environmental sciences","schemeUri":"http://www.oecd.org/science/inno/38235147.pdf","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"FOS: Earth and related environmental sciences","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"39999 Chemical Sciences not elsewhere classified","subjectScheme":"FOR"},{"subject":"FOS: Chemical sciences","schemeUri":"http://www.oecd.org/science/inno/38235147.pdf","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"FOS: Chemical sciences","subjectScheme":"Fields of Science and Technology (FOS)"}],"contributors":[],"dates":[{"date":"2016-04-27","dateType":"Created"},{"date":"2016-06-02","dateType":"Updated"},{"date":"2016","dateType":"Issued"}],"language":null,"types":{"ris":"GEN","bibtex":"misc","citeproc":"article","schemaOrg":"Collection","resourceType":"Collection","resourceTypeGeneral":"Collection"},"relatedIdentifiers":[{"relationType":"IsSupplementTo","relatedIdentifier":"10.1080/00958972.2016.1175558","relatedIdentifierType":"DOI"},{"relationType":"IsIdenticalTo","relatedIdentifier":"10.6084/m9.figshare.c.3142582","relatedIdentifierType":"DOI"}],"relatedItems":[],"sizes":[],"formats":[],"version":null,"rightsList":[{"rights":"CC-BY","rightsUri":"http://creativecommons.org/licenses/by/3.0/us"}],"descriptions":[{"description":"Two new copper(II) and chromium(III) complexes of tridentate 2,6-pyridinedicarboxylic acid (H\u003csub\u003e2\u003c/sub\u003epydc) with imidazole (im), (Him)[Cu(Hpydc)(pydc)]∙H\u003csub\u003e2\u003c/sub\u003epydc∙5H\u003csub\u003e2\u003c/sub\u003eO (\u003cb\u003e1\u003c/b\u003e) and (Him)[Cr(pydc)\u003csub\u003e2\u003c/sub\u003e]∙H\u003csub\u003e2\u003c/sub\u003epydc∙5H\u003csub\u003e2\u003c/sub\u003eO (\u003cb\u003e2\u003c/b\u003e), have been prepared and characterized by elemental analysis, TGA measurements, FT-IR, and UV–Vis spectroscopy, powder and single crystal X-ray crystallography. Crystal structure analyses reveal that both copper(II) and chromium(III) ions are in a distorted octahedral environment. The optimized geometrical parameters were calculated using methods based on the density functional theory (DFT). These calculations agree closely with the X-ray structure. The antimicrobial activities of the ligand and the complexes were evaluated \u003ci\u003ein vitro\u003c/i\u003e and compared with drugs in use. The results show that the complexes had stronger antibacterial activity than the corresponding ligand and the effectiveness was confirmed against \u003ci\u003eBacillus subtilis\u003c/i\u003e (gram positive) and \u003ci\u003eKlebsiella pneumoniae\u003c/i\u003e (gram negative) for \u003cb\u003e1\u003c/b\u003e, and \u003ci\u003eEscherichia coli\u003c/i\u003e and \u003ci\u003eK. pneumoniae\u003c/i\u003e (gram negative) for \u003cb\u003e2\u003c/b\u003e by the well diffusion method.","descriptionType":"Abstract"}],"geoLocations":[],"fundingReferences":[],"xml":"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","url":"https://figshare.com/collections/Crystal_structure_studies_and_antimicrobial_activities_of_transition_metal_complexes_of_pyridine_2_6_dicarboxylic_acid_and_imidazole_containing_water_clusters/3142582/2","contentUrl":null,"metadataVersion":2,"schemaVersion":"http://datacite.org/schema/kernel-4","source":"api","isActive":true,"state":"findable","reason":null,"viewCount":0,"viewsOverTime":[],"downloadCount":0,"downloadsOverTime":[],"referenceCount":0,"citationCount":0,"citationsOverTime":[],"partCount":0,"partOfCount":0,"versionCount":0,"versionOfCount":0,"created":"2016-04-27T10:50:04.000Z","registered":"2016-04-27T10:50:05.000Z","published":"2016","updated":"2024-12-14T15:00:54.000Z"},"relationships":{"client":{"data":{"id":"figshare.ars","type":"clients"}},"provider":{"data":{"id":"otjm","type":"providers"}},"media":{"data":{"id":"10.6084/m9.figshare.c.3142582.v2","type":"media"}},"references":{"data":[]},"citations":{"data":[]},"parts":{"data":[]},"partOf":{"data":[]},"versions":{"data":[]},"versionOf":{"data":[]}}}}