<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>68(Pt 8)</volume><submitter>Benghanem F</submitter><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</pubmed_abstract><journal>Acta crystallographica. Section E, Structure reports online</journal><pagination>m1069-70</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC3414130</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>Aqua-{4,4'-dimeth-oxy-2,2'-[pyridine-2,3-diylbis(nitrilo-methanylyl-idene)]-diphenolato}copper(II).</pubmed_title><pmcid>PMC3414130</pmcid><pubmed_authors>Keraghel S</pubmed_authors><pubmed_authors>Ourari A</pubmed_authors><pubmed_authors>Bouacida S</pubmed_authors><pubmed_authors>Benghanem F</pubmed_authors><pubmed_authors>Benramdane R</pubmed_authors></additional><is_claimable>false</is_claimable><name>Aqua-{4,4'-dimeth-oxy-2,2'-[pyridine-2,3-diylbis(nitrilo-methanylyl-idene)]-diphenolato}copper(II).</name><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</description><dates><release>2012-01-01T00:00:00Z</release><publication>2012 Aug</publication><modification>2025-04-04T18:55:25.089Z</modification><creation>2019-03-27T00:56:28Z</creation></dates><accession>S-EPMC3414130</accession><cross_references><pubmed>22904737</pubmed><doi>10.1107/S1600536812031273</doi></cross_references></HashMap>