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Complex Units (complex + unit)
Selected AbstractsBis[2-(2-hydroxyethyl)pyridinium] ,-decavanadato-bis[pentaaquamanganate(II)] tetrahydrateACTA CRYSTALLOGRAPHICA SECTION C, Issue 2 2009Lenka Kli, tincová The structure of the title compound, (C7H10NO)2[Mn2V10O28(H2O)10]·4H2O or (C5H4NHCH2CH2OH)2[{Mn(H2O)5}2V10O28]·4H2O, at 293,(2),K has triclinic (P) symmetry. The asymmetric unit consists of one half of a decavanadate anion of Ci symmetry, one [Mn(H2O)5]2+ group, one 2-(2-hydroxyethyl)pyridinium cation and two solvent water molecules. The decavanadate ion bridges between two [Mn(H2O)5]2+ groups, thus forming a dodecanuclear complex unit. Complex units are connected via a hydrogen-bonding network, forming supramolecular layers lying in the (001) plane. Cations and solvent water molecules are located between these layers. [source] The role of specific interactions in crystalline complex formation.JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, Issue 5 200210-bis(4-bromophenyl)-, 10-dihydroanthracene with dimethyl sulfoxide, 10-dihydroxy-, Structural, thermochemical analysis of inclusion compounds of cis -, trans - Abstract Referring to a crucial problem in crystal engineering and co-crystallization of host,guest complexes, whether the non-covalent supramolecular interactions existing in a pre-crystalline solution state may determine the subsequent crystal structure, the particular inclusion properties of host compounds 1, cis - and 2, trans -9,10-bis(4-bromophenyl)-9,10-dihydroxy-9,10-dihydroanthracene, with dimethyl sulfoxide (DMSO) were studied by using x-ray structure analysis and calorimetric methods. Both hosts form crystalline inclusion complexes with DMSO showing 2:3 (1·DMSO) and 1:4 (2·DMSO) host:guest composition. The crystal structure of 1·DMSO (2:3) is dominated by a strong bifurcated acceptor-type H bond interaction involving 1 and one of the DMSO molecules. Titration calorimetric investigations in solution also confirm the formation of a stable 1·DMSO (1:1) complex unit, suggesting that for crystal nuclei of 1·DMSO (2:3) the pre-formed 1:1 host,guest complex is the relevant building block while the additional molecules of DMSO fill lattice voids. In contrast, compound 2 with a trans configuration of the two hydroxy groups gives much weaker complexation with DMSO in solution, which is in agreement with single H-bond interaction, also realized in the crystal structure of the respective inclusion complex. Thermal decomposition (TG,DSC) measurements of the crystalline complexes supply supporting data for these findings. Copyright © 2002 John Wiley & Sons, Ltd. [source] Bis[2-(2-hydroxyethyl)pyridinium] ,-decavanadato-bis[pentaaquamanganate(II)] tetrahydrateACTA CRYSTALLOGRAPHICA SECTION C, Issue 2 2009Lenka Kli, tincová The structure of the title compound, (C7H10NO)2[Mn2V10O28(H2O)10]·4H2O or (C5H4NHCH2CH2OH)2[{Mn(H2O)5}2V10O28]·4H2O, at 293,(2),K has triclinic (P) symmetry. The asymmetric unit consists of one half of a decavanadate anion of Ci symmetry, one [Mn(H2O)5]2+ group, one 2-(2-hydroxyethyl)pyridinium cation and two solvent water molecules. The decavanadate ion bridges between two [Mn(H2O)5]2+ groups, thus forming a dodecanuclear complex unit. Complex units are connected via a hydrogen-bonding network, forming supramolecular layers lying in the (001) plane. Cations and solvent water molecules are located between these layers. [source] {4-[(Carbamimidoylhydrazono)methyl-,2N1,N4]-5-hydroxymethyl-2-methylpyridinium-3-olate-,O}(methanol-,O)copper(II) dinitrateACTA CRYSTALLOGRAPHICA SECTION C, Issue 9 2009Vukadin M. Leovac The title compound, [Cu(C9H13N5O2)(CH4O)](NO3)2, consists of square-planar cationic complex units where the CuII centre is coordinated by an N,N,,O -tridentate pyridoxal,aminoguanidine Schiff base adduct and a methanol molecule. The tridentate ligand is a zwitterion exhibiting an almost planar conformation. The dihedral angles between the mean planes of the pyridoxal ring and the six- and five-membered chelate rings are all less than 2.0°. The charge on the complex cation is neutralized by two nitrate counter-ions. Extensive N,H...O and C,H...O hydrogen bonding connects these ionic species and leads to the formation of layers. The pyridoxal hydroxy groups are the only fragments that deviate significantly from the flat layer structure; these groups are involved in O,H...O hydrogen bonding, connecting the layers into a three-dimensional crystal structure. [source] Different intermolecular interactions in azido[2-(diphenylphosphino)benzaldehyde semicarbazonato-,2P,N1,O]nickel(II)ACTA CRYSTALLOGRAPHICA SECTION C, Issue 7 2009Sladjana B. Novakovi The title compound, [Ni(C20H17N3OP)(N3)], is the first complex with a semicarbazide-based ligand having a P atom as one of the donors. The influence of the P atom on the deformation of the coordination geometry of the NiII ion is evident but less expressed than in the cases of complexes with analogous seleno- and thiosemicarbazide ligands. The torsion angles involving the two bonds formed by the P atom within the six-membered chelate ring have the largest values [C,P,Ni,N = 24.3,(2)° and C,C,P,Ni = ,24.2,(4)°], suggesting that the P atom considerably influences the conformation of the ring. Two types of N,H...N hydrogen bond connect the complex units into chains. [source] A novel O,Zn bridging polymer complex of 2,6-bis[bis(carboxylatomethyl)aminomethyl]-4-methylphenolateACTA CRYSTALLOGRAPHICA SECTION C, Issue 1 2008Yuan-Yuan Zhang A new one-dimensional coordination polymer, catena -poly[[acetatohexaaqua{,4 -2,6-bis[bis(carboxylatomethyl)aminomethyl]-4-methylphenolato}trizinc(II)] octahydrate], [Zn3(C17H17N2O9)(C2H3O2)(H2O)6]·8H2O, is a trinuclear complex consisting of three zinc centers joined by a phenolate bridge and Zn(H2O)4 units. In each complex polymer unit, the three Zn atoms have different coordination modes. Of the two phenolate-bridged Zn ions, one adopts a distorted octahedral coordination composed of two carboxylate ligands, one tertiary N atom, two water molecules and the bridging phenolate ligand, while the other adopts a pyramidal geometry composed of two carboxylate ligands, one tertiary N atom from another coordination arm, one acetate anion as the counter-anion and the bridging phenolate ligand. The third type of Zn centre is represented by two independent Zn atoms lying on inversion centres. They both have an octahedral coordination consisting of four O atoms from four water molecules and two acetate carbonyl O atoms from the ligand. The latter Zn atoms join the above-mentioned binuclear complex units through O atoms of the carboxylate groups into an infinite chain. Neighboring aromatic rings are distributed above and below the chain in an alternating manner. Between the coordination chains, the Zn...Zn separations are 5.750,(4) and 6.806,(4),Ĺ. The whole structure is stabilized by hydrogen bonds formed mainly by solvent water molecules. [source] | ||||||||||