In the title complex, [CuCl(2)(C(8)H(6)N(2)O)(2)(H(2)O)(2)], the Cu(II) ion is located on an inversion center and is octahedrally coordinated by two N atoms of the 1H-quinazolin-4-one ligand, two chloride ligands and two aqua ligands. The axial Cu-O distances are significantly longer [2.512 (2) Å], than the Cu-N [2.022 (2) Å] and Cu-Cl [2.3232 (4) Å] distances as a result of Jahn-Teller distortion. Aqua ligands are involved in intra- and inter-molecular hydrogen bonding, and N-H⋯O inter-molecular hydrogen bonds are formed between the organic ligands. In addition, weak π-π inter-actions are observed between the benzene rings of the ligand [centroid-centroid distance = 3.678 (1) Å].
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http://dx.doi.org/10.1107/S1600536810048890 | DOI Listing |
Acta Crystallogr C Struct Chem
January 2025
College of Chemistry and Materials Science, Anhui Normal University, Wuhu, Anhui 241000, People's Republic of China.
A new twofold interpenetrated 3D metal-organic framework (MOF), namely, poly[[μ-aqua-diaqua{μ-2,2'-[terephthaloylbis(azanediyl)]diacetato}barium(II)] dihydrate], {[Ba(CHNO)(HO)]·2HO}, (I), has been assembled through a combination of the reaction of 2,2'-[terephthaloylbis(azanediyl)]diacetic acid (TPBA, HL) with barium hydroxide and crystallization at low temperature. In the crystal structure of (I), the nine-coordinated Ba ions are bridged by two μ-aqua ligands and two carboxylate μ-O atoms to form a 1D loop-like Ba-O chain, which, together with the other two coordinated water molecules and μ-carboxylate groups, produces a rod-like secondary building unit (SBU). The resultant 1D polynuclear SBUs are further extended into a 3D MOF via the terephthalamide moiety of the ligand as a spacer.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
Bernal Institute and Department of Chemical Sciences, University of Limerick, Limerick V94 T9PX, Ireland.
2D and 3D porous coordination networks (PCNs) as exemplified by metal-organic frameworks, MOFs, have garnered interest for their potential utility as sorbents for molecular separations and storage. The inherent modularity of PCNs has enabled the development of crystal engineering strategies for systematic fine-tuning of pore size and chemistry in families of related PCNs. The same cannot be said about one-dimensional (1D) coordination polymers, CPs, which are understudied with respect to porosity.
View Article and Find Full Text PDFInorg Chem
December 2024
Department of Medicinal and Applied Chemistry, Kaohsiung Medical University, Kaohsiung 80708, Taiwan.
Density functional theory (DFT) calculations indicate that [Co(HO)] reacts with two HO molecules to form [(HO)Co(OOH)(HO)] reactant complexes, which decompose through three distinct pathways depending on the relative orientation between the coordinated OOH and HO ligands. The reactive intermediates produced via these activation pathways include hydroperoxyl (OOH)/superoxide (O) radicals, singlet oxygen (O), and Co(III) species [(HO)Co(O)], [(HO)Co(OH)], and [(HO)Co(OH)]. The Co(III) species display from moderate to strong oxidizing abilities that have long been overlooked.
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
October 2024
The mol-ecule of the title compound, [Ni(CHO)(CHN)(HO)]·CHOH, has triclinic () symmetry. This compound is of inter-est for its anti-microbial properties. The asymmetric unit comprises two independent complex mol-ecules, which are linked by N-H⋯O and O-H⋯O hydrogen bonds along [111].
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
October 2024
Department of Chemistry & Biochemistry California State Polytechnic University, Pomona 3801 W Temple Ave Pomona CA 91768 USA.
The crystal structure of the title compound, hexa-aqua-nickel(II) dichloride-1,4,7,10,13,16-hexa-oxa-cyclo-octa-deca-ne-water (1/2/2), [Ni(HO)]Cl·2CHO·2HO, is reported. The asymmetric unit contains half of the Ni(OH) moiety with a formula of CHClNiO at 105 K and triclinic (1) symmetry. The [Ni(OH)] cation has close to ideal octa-hedral geometry with O-Ni-O bond angles that are within 3° of idealized values.
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