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  • 1
    ISSN: 1572-8854
    Keywords: Dinuclear ; copper ; triflate ; bipyrimidine ; azido ; infrared
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The structure of the title compound [Cu2(bipym)3(N3)2(CH3OH)2](CF3SO3)2(CH3OH)2 has been determined by X-ray diffraction. The crystals are triclinic, space group P1, with a = 8.1844(5), b = 11.0253(6), c = 12.9089(7) Å, α = 80.249(4), β, = 74.933(5), γ = 74.001(4)°, and Z = 1. The structure consists of a dinuclear Cu(II) unit formed of two didentate bipym ligands, one bis-didentate bipym ligand, two azido anions, and two coordinating methanol molecules. The Cu(II) atom is elongated tetragonally surrounded by two nitrogens of the didentate bipym ligand, one nitrogen of the bis-didentate ligand, and one nitrogen of the azido anion forming the equatorial plane with one nitrogen of the bis-didentate ligand and an oxygen atom of the methanol molecule as the axial atoms. A noncoordinating triflate anion and an additional methanol molecule are also in the crystal lattice and have a hydrogen bond distance of 2.801(3) Å with an angle of 157(4)°. The cations link by O – H ··· N bonds into infinite chains running in the c-direction.
    Type of Medium: Electronic Resource
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  • 2
    ISSN: 1572-8854
    Keywords: copper ; bis(benzimidazoles) ; crystal structure ; infrared
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The structure of a mononuclear copper(II) compound with the ligand bis(2-benzimidazolyl)propane (abbreviated as tbz) is reported. The compound [Cu(tbz)2](CF3SO3)2(H2O) crystallizes in the triclinic space group P $$\bar 1$$ , with a = 12.363(6), b = 13.218(9), c = 15.365(8) Å, α = 82.74(5), β = 68.04(4), γ = 65.30(5), and Z = 2. The Cu(II) atom has a geometry intermediate between tetrahedral and square planar, consisting of four nitrogen atoms of two tbz ligands. The Cu—N—Cu angles are about 135°, while the dihedral angle between them amounts to 62° (0° for square planar and 90° for a tetrahedron). Ligand field bands are observed at 10.2 × 103, 13.8 × 103, and 20.3 × 103 cm−1, while the most characteristic infrared vibrations of the triflate anion are observed at 1273, 1260, 1238, 1221, 1171, and 1157 cm−1.
    Type of Medium: Electronic Resource
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  • 3
    ISSN: 1572-8854
    Keywords: aminopyrimidine ; copper ; stacking ; hydrogen bonding
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Reaction of Cu(II) triflate with an excess of 2-aminopyrimidine (ampym) in ethanol followed by slow crystallization results in a most unusual crystal lattice, which can be considered as consisting of two interpenetrating sublattices. The compound analyzes as [Cu(ampym)2(H2O)2(CF3SO3)2(ampym)4]. Crystal data: Triclinic, P $$\overline 1$$ , a = 7.6179(5), b = 11.4311(14), c = 11.8373(13) Å, α = 84.098(9), β = 79.998(7), γ = 84.253(8)°, Vol = 1010.151(8) Å, Z = 1, Dcalc = 1.592 g/cm3. One part of the lattice consists of the unprecendented linear chain of neutral ampym molecules; the chain is built up by Watson–Crick type bis-hydrogen bonds between imine N atoms and N-H groups of the NH2. This ampym chain is apparently stabilized by the other part in the crystal lattice, which can best be described by starting from the centrosymmetric trans-CuII(ampym)2(H2O)2 ion (Cu-N = 2.01 Å; Cu-O = 1.94 Å). This Cu ion is coordinated by two monodentate ampym ligands, two water molecules and two semi-coordinating triflate oxygen atoms. The Cu chromophore is held in position by hydrogen bonding towards a triflate ion (two times for symmetry reasons), and (again two times) a free ampym ligand. The triflate ion bridges a water hydrogen to a next-neighboring free ampym ligand. The noncoordinating ampym molecule has four bonding sites, of which two are used in H-bonding with the coordinated ligand, one with the triflate and the last one with the water hydrogen atom. The noncoordination ampym molecules in this sublattice finally form aromatic stacks with coordinated ampym and with itself in pairs (ring-ring distance 3.77-3.80 Å).
    Type of Medium: Electronic Resource
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