{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["68(Pt 8)"],"submitter":["Benghanem F"],"pubmed_abstract":["Mol-ecules of the title compound, [Cu(C(21)H(17)N(3)O(4))(H(2)O)], lie across a crystallographic mirror plane. The Cu(II) atom is five-coordinated in a distorted square-pyramidal environment by two phenolate O atoms and two imine N atoms of the tetra-dentate Schiff base anion in the basal plane and one water mol-ecule in the apical position. Because of symmetry, the pyridine N atom and the corresponding C atom at the 4-position of the pyridine ring are disordered. The crystal packing can be described as being composed of alternating layers stacked along [001]. Intra-molecular C-H⋯N and inter-molecular C-H⋯O and O-H⋯O hydrogen-bonding inter-actions, as well as C-H⋯π and π-π stacking inter-actions [shortest centroid-centroid distance = 3.799 (8) Å and inter-planar distance = 3.469 (2) Å] are"],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["m1069-70"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3414130"],"repository":["biostudies-literature"],"pubmed_title":["Aqua-{4,4'-dimeth-oxy-2,2'-[pyridine-2,3-diylbis(nitrilo-methanylyl-idene)]-diphenolato}copper(II)."],"pmcid":["PMC3414130"],"pubmed_authors":["Keraghel S","Ourari A","Bouacida S","Benghanem F","Benramdane R"],"additional_accession":[]},"is_claimable":false,"name":"Aqua-{4,4'-dimeth-oxy-2,2'-[pyridine-2,3-diylbis(nitrilo-methanylyl-idene)]-diphenolato}copper(II).","description":"Mol-ecules of the title compound, [Cu(C(21)H(17)N(3)O(4))(H(2)O)], lie across a crystallographic mirror plane. The Cu(II) atom is five-coordinated in a distorted square-pyramidal environment by two phenolate O atoms and two imine N atoms of the tetra-dentate Schiff base anion in the basal plane and one water mol-ecule in the apical position. Because of symmetry, the pyridine N atom and the corresponding C atom at the 4-position of the pyridine ring are disordered. The crystal packing can be described as being composed of alternating layers stacked along [001]. Intra-molecular C-H⋯N and inter-molecular C-H⋯O and O-H⋯O hydrogen-bonding inter-actions, as well as C-H⋯π and π-π stacking inter-actions [shortest centroid-centroid distance = 3.799 (8) Å and inter-planar distance = 3.469 (2) Å] are","dates":{"release":"2012-01-01T00:00:00Z","publication":"2012 Aug","modification":"2025-04-04T18:55:25.089Z","creation":"2019-03-27T00:56:28Z"},"accession":"S-EPMC3414130","cross_references":{"pubmed":["22904737"],"doi":["10.1107/S1600536812031273"]}}