TY - JOUR A1 - Halaska, Jozef A1 - Pevec, Andrej A1 - Strauch, Peter A1 - Kozlevcar, Bojan A1 - Koman, Marian A1 - Moncol, Jan T1 - Supramolecular hydrogen-bonding networks constructed from copper(II) chlorobenzoates with nicotinamide - Structure and EPR JF - Polyhedron : the international journal of inorganic and organometallic chemistry N2 - Nicotinamide (nia) has been employed as a supramolecular reagent in the synthesis of four copper(II) chloro- and dichlorobenzoate (Clbz/Cl(2)bz) complexes. The structures of the compounds [Cu(2-Clbz)(2) (nia)(2)(H2O)(2)] (1), icu(4-clbz)(2)(nia)(2)(H2O)(2)] (2), [Cu(3,5-Cl(2)bz)(2)(nia)(2)(H2O)(2)] (3), and [Cu(2,5-Cl(2)bz)(2) (nia)(2)(H2O)]center dot H2O (4) were determined. All the investigated compounds 1-4 reveal water molecules as coordinated. Their structures show distorted octahedral chromophores (CuN2O2O)-N-II'(2), though some are better described as square-planar or square-pyramid due to a large deviation of the axial ligand away from the octahedral z-axis along with different Cu center dot center dot center dot O (axial) lengths. The equatorial positions are occupied in all four cases by two nitrogen (nia-py) atoms and two carboxylate oxygen atoms of two Clbz/Cl(2)bz ligands, while the axial positions are occupied by water molecules. The EPR spectra reveal for all 1-4 compounds a spin state of S = 1/2, mostly with axial symmetry of the spectra. Their resolution is clearly dependant to the crystal symmetry related equivalence of the magnetic sites. The coordination molecules of all compounds are connected by N-H center dot center dot center dot O and O-H center dot center dot center dot O H-bonds from nicotinamide NH2 groups, carboxylate anions and/or water molecules, which create supramolecular chains or further H-bonded into 2D sheets. Steric hindering of the chlorine atoms of the Clbz/Cl(2)bz, especially seen at the coordination of the water molecules, demonstrates its role at the coordination sphere appearance. Despite this influence, the water molecules in 1-4 always assist at the similar supramolecular H-bonded network, almost at the same manner. KW - Copper(II) complexes KW - Nicotinamide KW - Crystal structure KW - EPR Y1 - 2013 U6 - https://doi.org/10.1016/j.poly.2013.05.032 SN - 0277-5387 VL - 61 SP - 20 EP - 26 PB - Elsevier CY - Oxford ER - TY - JOUR A1 - Baier, Heiko A1 - Kelling, Alexandra A1 - Jackstell, Ralf A1 - Holdt, Hans-Jürgen T1 - Rhodium(I) and Silver(I) Complexes of 4,5-Dicyano-1,3-dimesityl- and 4,5-Dicyano-1,3-dineopentylimidazol-2-ylidene JF - Zeitschrift für anorganische und allgemeine Chemie N2 - The new N-heterocyclic carbene (NHC) precursors 4,5-dicyano-1, -dimesityl- (9) and 4, 5-dicyano-1, 3-dineopentyl-2-(pentafluorophenyl)imidazoline (14) were synthesized. 9 could be determined by X-ray crystallography. With the 2-pentafluorophenyl-substituted imidazolines 9 and 14, the [AgCl(NHC)], [RhCl(COD)(NHC)], and [RhCl(CO)(2)(NHC)] complexes [NHC = 4, 5-dicyano-1, 3-dimesitylimidazol-2-ylidene (3) and 4, 5-dicyano-1, 3-dineopentylimidazol-2-ylidene (4)] were obtained. Crystal structures of [AgCl(3)] (15), [RhCl(COD)(3)] (17), [RhCl(COD)(4)] (18), and [RhCl(CO)(2)(3)] (19) were solved and with the crystal data of 19, the percent buried volume (%V-bur) of 31.8(+/- 0.1)% was determined for NHC 3. Infrared spectra of the imidazolines 9 and 14 and of the complexes 15-20 were recorded and the CO stretching frequencies of complexes 19 and 20 were used to determine the 3 ( (-1)) and 4 ( (-1)), thus proving that 1, 3-substitution of maleonitrile-NHCs does not have a significant effect for the high -acceptor strength of these carbenes. KW - Carbenes KW - Rhodium KW - Silver KW - Crystal structure KW - Diaminomaleonitrile Y1 - 2013 U6 - https://doi.org/10.1002/zaac.201300250 SN - 0044-2313 SN - 1521-3749 VL - 639 IS - 10 SP - 1731 EP - 1739 PB - Wiley-VCH CY - Weinheim ER - TY - JOUR A1 - Vaskova, Zuzana A1 - Kitanovski, Nives A1 - Jaglicic, Zvonko A1 - Strauch, Peter A1 - Ruzickova, Zdenka A1 - Valigura, Dusan A1 - Koman, Marian A1 - Kozlevcar, Bojan A1 - Moncol, Jan T1 - Synthesis and magneto-structural characterization of copper(II) nitrobenzoate complexes containing nicotinamide or methylnicotinamide ligands JF - Polyhedron : the international journal of inorganic and organometallic chemistry N2 - Three new copper(II) 4-nitrobenzoato coordination compounds (4-NO(2)bz(-) = 4-nitrobenzoate anions) with N-methylnicotinamide (mna) [Cu(4-NO(2)bz)(2)(mna)(2)(H2O)] (1), [Cu(4-NO(2)bz)(2)(mu-mna)(H2O)](2) (2) and [Cu(mu-4-NO(2)bz)(2)(mna)](2) (3) were synthesized and characterized. Due to a comparison, additional two related compounds [Cu(3,5-(NO2)(2)bz)(2)(mna)(2)(H2O)] (4) (nia = nicotinamide, 3,5-(NO2)(2)bz(-) = 3,5-dinitrobenzoate anions) and [Cu(mu-2-NO(2)bz)(2)(mna)](2) (5) (2-NO(2)bz(-) = 2-nitrobenzoate anions) were isolated. The mononuclear compounds with mna 1 and nia 4 show CuO2N2O chromophores with the water molecule placed at the apex of the square pyramid. The square-pyramidal coordination sphere CuO3NO in 2 differs to CuO2N2O in 1 and 4. Differently, the water molecule is in 2 at the basal-plane, while two mna molecules serve also as bridges via N-py and 0-amido enabling a dinuclear molecular structure 1, 2 and 4 are paramagnetic though a dinuclear structure is seen in 2, while a clear-cut strong antiferromagnetic (AFM) coupling (2J -300 cm(-1)) is found for the compounds 3 and 5. (C) 2014 Elsevier Ltd. All rights reserved. KW - Copper(II) KW - Nicotinamide KW - N-methylnicotinamide KW - Crystal structure KW - Magnetic properties Y1 - 2014 U6 - https://doi.org/10.1016/j.poly.2014.07.017 SN - 0277-5387 VL - 81 SP - 555 EP - 563 PB - Elsevier CY - Oxford ER - TY - JOUR A1 - Senge, Mathias O. A1 - Flanagan, Keith J. A1 - Ryan, Aoife A. A1 - Ryppa, Claudia A1 - Donath, Mandy A1 - Twamley, Brendan T1 - Conformational and structural studies of meso monosubstituted metalloporphyrins-Edge-on molecular interactions of porphyrins in crystals JF - Tetrahedron N2 - A series of meso monosubstituted metalloporphyrins were synthesized to assess the structural chemistry of porphyrins with only one substituent. The structures of four nickel(II) and zinc(II) complexes with either alkyl or aryl residues indicate primarily planar macrocycles. This gives rise to a different type of pi-interactions in the crystal and the formation of dimeric, trimeric or tetrameric porphyrin units that function as building blocks for the overall crystal structure. Notably, some structures exhibit a unique edge-on packing of porphyrins, while the molecules of (5-n-butylporphyrinato)nickel(II) forms an unusual bilayer type structure where rows of two porphyrin macrocycles are separated by the alkyl residues arranged in a head-to-head fashion. This adds to the canon of intermolecular porphyrin packing arrangements and is of relevance for the preparation of ordered nanoscopic porphyrin devices. (C) 2015 Elsevier Ltd. All rights reserved. KW - Porphyrins KW - Conformational analysis KW - Tetrapyrroles KW - Crystal structure KW - Crystal packing Y1 - 2016 U6 - https://doi.org/10.1016/j.tet.2015.11.008 SN - 0040-4020 VL - 72 SP - 105 EP - 115 PB - Elsevier CY - Oxford ER -