Primož Šegedin

Complexes of copper(II) carboxylates with 2-aminoethanol - syntheses, characterization and fungicidal activity; crystal structure of Cu(O2CC8H17)2(NH2C2H4OH)2

Abstract Complexes of copper(II) octanoate, nonanoate and decanoate with 2-aminoethanol (ethanolamine) have been synthesized and characterized. The crystal structure of Cu(O2CC8H17)2(NH2C2H4OH)2 consists of mononuclear units with pairs of amino nitrogen atoms and deprotonated nonanoato oxygen atoms forming a square coordination plane around the central copper. The hydroxyl oxygen atoms from the 2-aminoethanol ligands are positioned axially with respect to the coordination plane. Results of screening for fungicidal activity against the wood-rotting fungus Trametes versicolor (L. ex Fr.) Pilat show that the complexes totally inhibit fungal growth at a concentration of 1.0 × 10−3 mol/1 but only partially at a concentration of 5.0 × 10−4 mol/1.

Preparation and characterization of copper(II) coordination compounds with linear chain fatty acids with 7–12 carbon atoms and pyridine. Crystal structure of Cu(O2CC8H17)2(py)2(H2O)

Abstract Mononuclear compounds of the composition CuX2(py)2(H2O) and binuclear of the composition Cu2X4(py)2 (py = pyridine, X = heptanoate, octanoate, nonanoate, decanoate or dedecanoate) were prepared, analysed and characterized by vibrational spectroscopy and thermogravimetry. Generally, the complexes are unstable, the mononuclear being even less stable than binuclear, losing pyridine in air at room temperature. The X-ray crystal structure of the mononuclear adduct of copper(II) nonanoate with pyridine, Cu(O2CC8H17)2(py)2(H2O), was determined by X-ray diffraction. The copper(II) ion is in a square pyramidal environment with two pyridine nitrogen atoms and two oxygen atoms from unidentate nonaoato ligands forming the basal plane of the pyramid and a water molecule coordinated at the apex. The carboxylate oxygen O(2) is not coordinated to copper, but is bound to water from a neighbouring molecule by the OHO(2) hydrogen bond of 2.691 (5) A.

The crystal and molecular structure of tetrakis(μ-octanoato-O,O′)-bis(pyridine)dicopper(II)

Abstract The crystal structure of the adduct of copper(II) octanoate with pyridine, (Cu2(C7H15COO)4(C5H5N)2, has been determined by X-ray diffraction. The complex forms discrete centrosymmetric tetracarboxylate-bridged dimers with pyridine moieties in the apical positions.

trans-Diaquabis(nicotinamide-N)bis(salicylato-O)copper(II)

The Cu II atom in [Cu(C 7 H 5 O 3 ) 2 (C 6 H 6 N 2 O)2(H 2 O)) 2 is octahedrally coordinated by N atoms from two nicotinamide ligands [at 2.018(2) and 2.019 (2) A], by O atoms of two salicylate ligands [at 1.9656(19) and 1.9762(19) A], and by trans water molecules at considerably different distances [2.373 (3) and 2.894 (4) A]. Neutral monomeric units are held together by hydrogen bonds through water molecules and N and O atoms of the CONH 2 group of nicotinamide and carboxylate groups.

Complexes of copper(II) carboxylates with ammonia. Crystal structure of Cu(O2CC9H19)2(NH3)2(H2O)

Abstract Compounds of the composition CuX 2 (NH 3 ) 2 (H 2 O) (X = heptanoate, octanoate, nonanoate, decanoate or dodecanoate) were prepared, analysed and characterized by vibrational and electron paramagnetic resonance (EPR) spectroscopy and by magnetic susceptibility measurements. The crystal and molecular structure of diammineaquabis(decanoato)copper(II) was determined by X-ray diffraction. The structure consists of mononuclear units with (4 + 2) coordination around central copper.

Bis(nicotinamide-N)bis(salicylato-O,O')-copper(II), the monoclinic form

The monoclinic form of the title compound, [Cu(C 7 H 5 O 3 ) 2 (C 6 H 6 N 2 O) 2 ], was isolated during the systematic synthesis of copper salicylates. A distorted octahedral coordination around Cu II , located on the centre of symmetry, is formed by four carboxylic O atoms from two salicylate ligands [Cu-O 1.928 (2) and 2.766 (2) A] and by two N atoms from two nicotinamide groups [Cu-N 2.022 (2) A]. Monomeric structural units are linked together via hydrogen bonds of the type N-H...O between the N and O atoms of the nicotinamide ligands.

Preparative and structural studies of halodimolybdates(II). VII. Synthesis and crystal structures of (morphH)2Mo2X6(H2O)2 (X = Cl, Br; morph = morpholine)

Abstract (morphH)2Mo2Cl6(H2O)2 (A) and (morphH)2Mo(2Br6(H2O)2 (B) (morph = C4H9NO) crystallize in the P1 space group with Z = 1 and comparable cell dimensions. Average MoMo distance is 2.12(1) A. Mo2 pairs have two different orientations with respect to the position of the remaining atoms forming Mo2X6(H2O)2−2 anion. Population factors for the disordered part are 14 and 33% for chloride and bromide. MoCl and MoBr bond lengths average 2.43(1) and 2.57(1) A. MoO(H2O) distances are 2.20(1) A and 2.23(1) A (B). Mo2X6(H2O)2−2 is located at the symmetry center. Morpholinium cations are in the chair conformation. Cations and anions are connected by electrostatic interactions and weak hydrogen bonds. (morphH)4Mo2Cl8 and the compound with the chemical composition of (morphH)2Mo2Br4.2Cl1.8(H2O)2 were prepared. All compounds were characterized by chemical and physical methods.

Crystal Structures of Two Monomeric Copper(II) Carboxylates with 2-Aminopyridine

The crystal structures of two monomeric copper(II) carboxylates with 2-aminopyridine have been determined by X-ray diffraction. The hexanoate complex crystallizes as its acetonitrile solvate [Cu(C6H11O2)2(C5H6N2)2 · CH3CN] in the triclinic space group P-1 with a = 8.1020(6), b = 13.7106(9), c = 13.7673(9) Å, α = 113.79(1), β = 103.86(1), and γ = 94.38(4). The heptanoate compound shows an unsolvated structure [Cu(C7H13O2)2(C5H6N2)2] and also crystallizes in the triclinic space group P-1 with the following cell parameters: a = 8.4487(9), b = 12.238(1), c = 13.504(2) Å, α = 87.034(9), β = 77.489(9), and γ = 71.41(1)°. Both compounds contain the CuO4N2 chromophore, with ligands arranged around the copper center in a cis mode. 2-Aminopyridine is coordinated through the endocyclic nitrogen atom. The ortho position of the amino group, with respect to the pyridine nitrogen atom, allows the formation of both, intra-and intermolecular hydrogen bonds.

catena-Poly[diaquabis(nicotinamide-N1)copper(II)-μ-sulfato-O:O']

The sulfate anion acts as a bridging ligand between the copper(II) ions in the linear polymeric chain of the title compound, [Cu(SO 4 )(C 6 H 6 N 2 O) 2 (H 2 O) 2 ] n . Distorted octahedral coordination about the copper(II) ion is achieved by two ring N atoms of the nicotinamide groups, in a cis conformation [Cu-N 2.016 (3) and 2.018(3)A], by two water molecules [Cu-OW 1.986 (3) and 1.989(3)A], and by two O atoms of two sulfate ligands [Cu-O 2.418 (3) and 2.421 (3) A].

Crystal structure of methylammonium hexachloromolybdate(III) chloride and dimethylammonium hexachloromolybdate(III) chloride

Crystal data: (I) Methylammonium hexachloromolybdate(III) chloride, (CH 3 NH 3 ) 4 [MoCl 6 ] Cl, M r = 472.38, orthorhombic, Pbam; a = 12.596(3), b = 9.923(2), c = 7.333(2) A, V = 916.6(7) A 3 , T = 293(2) K, D x = 1.711(1) g cm −3 , D m = 1.70(2) g cm −3 , Z = 2, F(000) = 474, MoKα radiation, λ = 0.71069 A, μ = 17.16 cm −1 , final R = 0.043 and R w = 0.048 for 1325 observed reflections [I > 3 σ (I)]. (II) Dimethylammonium hexachloromolybdate(III) chloride, [(CH 3 ) 2 NH 2 ] 4 °MoCl 6 ]CI, M r = 528.48, orthorhombic, P2 1 2 1 2; a = 12.867(2), b = 10.158(2), c = 8.719(2) A, V = 1145.3(7) A 3 , T = 293(2) K, D x = 1.532(1) g cm −3 , D m = 1.53(2) g cm −3 , Z = 2, F(000) = 538, MoKα radiation, λ = 0.71069 A, μ = 13.81 cm −1 , final R = 0.019 and R w = 0.020 for 1548 observed reflections [I > 3 σ (I)]