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  • 1
    ISSN: 1572-8854
    Keywords: Betaine ; 4-dimethylaminopyridinioacetate ; hydrogen bonding ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystalline dihydrate and hydrochloride trihydrate of a new betaine, namely, L·2H2O (1) and [L2H]Cl·3H2O(2) (L=p-Me2NC5H4N+CH2CO2), have been synthesized and characterized by X-ray crystallography. Molecule L in compound1 [space groupPbcn, witha=15.732(3),b=7.894(2),c=18.304(4) Å, andZ=8] possesses approximateC s symmetry. The formation of hydrogen bonds by water molecules bridging neighboring carboxy oxygen atoms leads to an infinite two-dimensional network composed of a packing of two different kinds of 12-membered rings. In compound2 [space group PT witha=7.341(2),b=9.543(2),c=17.010(4) Å, α=82.43(2)°, δ=80.34(2)°, λ=74.05(2)°, andZ=2], the carboxylate groups of a pair of betaine molecules are bridged by a proton to form a dimeric cation L2H+ with a very strong asymmetric hydrogen bond of length 2.464(7) Å. The crystal structure features a hydrogen-bonded corrugated ribbon comprising an alternate arrangement of edge-sharing centrosymmetric (H2O)4(Cl−)2 and (H2O)4 rings running parallel to thea axis.
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  • 2
    ISSN: 1572-9001
    Keywords: Copper complexes ; X-ray crystallography ; intradimer Cu ⋯ Cu distance
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Four copper(II) complexes of betaines, [Cu2(BET)4Cl2][Cu(BET)2Cl2]Cl2 (2), [Cu2(pyBET)4Cl2]3[CuCl4]2Cl2 (3), [Cu, (pyBET)4 (H2O)2] (NO3)4 · 2H2O (4), and [Cu2(ppBET)4(H2O)2](ClO4)4 · 4H2O (5), (BET = Me3N+CH2COO−; pyBET = C5H5N+CH2COO−; ppBET=C5H5N+CH2CH2COO−), have been prepared and characterized by X-ray crystallography. These complexes all contain dimeric [Cu2 (carboxylato-O,O′)4L2] structures [basal Cu-O=1.955(4) ∼ 1.991(2), Cu ⋯ Cu=2.602(1) ∼ 2.759(1) Å] with the apical ligand L=Cl− in (2) and (3) [Cu-Cl=2.415(1) ∼ 2.436(3) Å] and L = H2O in (4) and (5) [Cu-OH2=2.158(4) ∼ 2.192(3) Å]; also present are a discrete [Cu(BET)2Cl2] molecule with a compressed tetrahedral CuO2Cl2 chromophore involving two unidentate carboxylate ligands [Cu-O=1.916(2), Cu-Cl=2.254(1) Å] in (2), and a discrete C3v [CuCl4]2− anion in (3). Generally the intradimer Cu ⋯ Cu distance may be correlated to the electronic repulsion of the metal-ligand bonds in the CuO4L chromophore, as well as the steric interaction between the carboxylate moieties and the apical ligand.
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  • 3
    ISSN: 1572-9001
    Keywords: Mercury(II) dicarboxylate ; double betaine ; 1,4-diazoniobicyclo[2.2.2]octane-1,4-diacetate ; X-ray crystallography ; polymeric structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Three mercury(II) complexes containing double-betaine and halide ligands, [(HgCl2)2(L1)] n (1), [(HgBr2)2(L1)(H2O)2] n (2), and [2HgCl2(HL1)·Hg2Cl6] n (3) [L1=−O2CCH2N+(CH2CH2)3-N+H2CO2 −], have been prepared and shown to have polymeric structures by single-crystal X-ray analysis. Complex (1) exhibits an infinite zigzag chain in which each mercury(II) atom is coordinated by pairs of carboxylate oxygen atoms and chloride ligands in a distorted tetrahedral geometry. In complex (2), the mercury(II) atom is in an unusual square-planar coordination geometry, and weak mercury-ligand and hydrogen bonding extend the structural skeletons into a three-dimensional network. Complex (3) consists primarily of an assembly of HgCl2(HL1) moieties and [Hg2Cl6]− anions, and the mercury(II) atoms are in planar T-shaped and distorted tetrahedral coordination environments, respectively. The resulting three-dimensional network is based on the cross-linkage of nearly planar, wide ribbons running in thea direction.
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  • 4
    ISSN: 1572-9001
    Keywords: Betaine ; sodium perchlorate ; crystal structure ; polymeric framework
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Three crystalline complexes of sodium perchlorate with different flexible double betaines [Na 2(L1)(ClO4)(H2O) n ](ClO4) n (1), [Na 3(L2)(ClO4)3(H2O)2 n ] (2), and [Na(L 3)(CH3OH)n]-(ClO4) n ·xnH2O (x=0.25) (3) [−O2CCH2N+Me2−(CH2) n -N+Me2CH2CO2 −,n=2 L1;n=3 L2;n=4 L3] have been synthesized and characterized by single-crystal X-ray structure analysis. Complex (1) comprises tetranuclear sodium units consolidated by betaine and aqua ligands, which are bridged by half of the ClO4 − anions to form layers matching the (200) planes, the remaining uncoordinated ClO4 − anions being accommodated between adjacent layers. Complex (2) possesses a double-layer polymeric structure with the sodium atoms bridged by ligand oxygen atoms to form columns running parallel to thea axis, which are interconnected by double-betaine ligands lying parallel to theac plane. All of the ClO4 − groups and water molecules are coordinated to the metal atoms. In complex (3) the chains composed of alternating eight-membered and four-membered metallocycles are cross-linked by the betaine ligands, which lie in the (020) and (01/1) families of planes, to yield a three-dimensional network. All of the ClO4 − groups and water molcules fill the resulting infinite channels running parallel to thea axis. Two unusual carboxylate coordination modes are identified, namelyμ 3-O andhapto-3-O plushapto-2-O′ in (1) and (2), respectively.
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