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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
    Electronic Resource
    Electronic Resource
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 28 (1997), S. 183-204 
    ISSN: 1573-1111
    Keywords: Thiourea ; tetraalkylammonium salt ; acetate ; acetate dimer ; hydrogen bonding ; inclusion compound
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract New inclusion complexes (C2H5)4N+CH3CO-°*4(NH2)2CS(1), (n-C3H7)4N+[(CH3CO2)2H]-°2(NH2)2CS (2), (n-C4H9)4N+[(CH3CO2)2H]-°2(NH2)2CS (3) and (CH3)4N+CH3CO2-°(NH2)2CS(4) have been prepared and characterized by X-raycrystallography. Crystal data, MoKα radiation: 1, space groupC2/c, a = 28.702(4), b = 8.457(1), c =22.906(7) Å, β = 98.91(1)°, Z = 8, and RF = 0.048for 2587 observed data; 2, space group P2/n, a = 8.536(2), b = 8.613(1), c = 18.360(2) Å, β = 90.66(2)°, Z = 2, and RF = 0.045 for 1637 observed data; 3,space group P¯1, a = 8.771(3), b = 10.720(1), c = 16.742(2) Å, α = 99.08(6), β = 94.07(2), γ = 95.25(2)°, Z = 2, and RF = 0.063 for 2736 observed data; 4, space group P21/n, a = 8.421(3), b = 16.532(6), c = 8.628(3) Å, β = 90.25(3), Z = 4, and RF = 0.050 for 1507observed data. In the crystal structure of 1, the thiourea moleculesand acetate ions constitute two channel systems aligned parallel to the[110] and [¯110] directions, with thetetraethylammonium cations accommodated in a single column withineach channel. In the crystal structure of 2, hydrogen-bondedcentrosymmetric thiourea dimers and acetate dimers are alternatelyarranged to form a zigzag, puckered ribbon running parallel to [10¯¯1], and the stacked columns of cations are sandwichedbetween undulatory wave layers constructed from the parallelarrangement of [((NH2)2CS)2((CH3CO2)2H)-]∞ ribbons. In the crystal structure of 3,zigzag hydrogen-bonded thiourea ribbons are linked by dimeric acetateanions existing in two different conformations to generate puckeredlayers matching the (002) planes, and the (n-C4H9)4N+ cations occupy the intervening space. Incompound 4 the cations are accommodated in ‘pseudo-channels’generated from infinitely extended thiourea-acetate composite ribbons.
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  • 3
    Electronic Resource
    Electronic Resource
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 23 (1995), S. 233-244 
    ISSN: 1573-1111
    Keywords: Urea ; tetraalkylammonium ion ; bicarbonate ; hydrogen bonding ; inclusion compound
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract New inclusion complexes (C2H5)4N+HCO 3 − ·(NH2)2CO·2H2O (1) and (n-C4H9)4N+HCO 3 − ·3(NH2)2CO (2) have been prepared and characterized by X-ray crystallography. Crystal data, MoK α radiation:1, space groupP21/n,Z=8,a=9.356(1),b=29.156(4),c=12.161(1) Å, β=90.03(1)°,R F =0.062 for 2214 observed data;2, space groupPī,Z=2,a=8.404(2),b=12.352(2),c=14.377(4) Å,a=88.20(2), β=89.56(2), γ=71.68(1)°,R F =0.052 for 3092 observed data. In both compounds the tetraalkylammonium ions are sandwiched between puckered layers, which are constructed from [((NH2)2CO)2(HCO 3 − )2]∞, ribbons, each composed of centrosymmetric hydrogen-bonded urea dimers and bicarbonate dimers, by lateral linkage through water molecules in1, and by direct cross-linkage of an alternate, parallel arrangement of the urea/bicarbonate and complementary urea ribbons in2.
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  • 4
    Electronic Resource
    Electronic Resource
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 28 (1997), S. 151-161 
    ISSN: 1573-1111
    Keywords: Urea ; tetraethylammonium ; tetraethylphosphonium ; hydrogen bonding ; inclusion compound
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract New inclusion complexes (C2H5)4E+Cl-⋅2(NH2)2CO(1, E = N; 2, E = P) have beenprepared and characterized by X-ray crystallography. Crystal data, MoKα radiation: 1, space group P21/c,Z = 4, a = 10.492(6), b = 14.954(8), c = 10.335(6) Å, β = 91.02(5)°, R F = 0.050 for 1527 observed data; 2, space group Pmn21, Z = 2, a = 7.446(1), b = 9.200(2), c = 12.753(3) Å, R F = 0.079 for 519 observed data. In compound 1 the tetraethylammonium ions are sandwiched between puckered layers, which are constructed from the linkage of chloride ions and wide urea ribbons each composed of a broadside arrangement of centrosymmetric hydrogen-bonded urea dimers. In the crystal structure of 2, hydrogen-bonded urea ribbons running parallel to [100] are connected by chloride ions to generate a sawtooth wave layer, and stacked columns of tetraethylphosphonium cations are sandwiched between adjacent layers. Supplementary Data relating to this article have been deposited with the British Library as Supplementary Publication No. SUP 82216 (11 pages).
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  • 5
    ISSN: 1434-193X
    Keywords: Clathrate hosts ; Clathrates ; Crystalline inclusion compounds ; Clathrate structures ; Host-guest chemistry ; Anthracene derivatives ; Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: -A series of new clathrate host molecules (1-10) containing two diarylhydroxymethyl groups attached to different positions (1,5 or 1,8) of a basic anthracene construction unit have been synthesized. Their clathrate formation properties with a variety of organic guests, including amines, alcohols, ketones, and other dipolar aprotic compounds or aromatic hydrocarbons are reported (143 examples of clathrates). The inclusion properties and the clathrate stoichiometries depend in a systematic manner on the structure of the host molecules. The crystal structures of six selected clathrates of different classes of compound have been determined by X-ray diffraction.
    Additional Material: 6 Ill.
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  • 6
    ISSN: 1434-1948
    Keywords: Tungsten complexes ; Molybdenum complexes ; Tetradentate ligands ; Oxygen-atom transfer ; Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A series of N2O2 tetradentate ligands with a range of substituents attached to the nitrogen atoms have been prepared (H2Ln) (n = 1-9). Treatment of these ligands and the N2S2 tetradentate ligand H2L10 with [WO2Cl2(DME)] (DME = 1,2-dimethoxyethane) in the presence of triethylamine leads to the formation of cis-dioxotungsten(VI) complexes [WO2(Ln)] (n = 1-10). Reaction of the N2O2 tetradentate ligands H2Ln (n = 1, 3-7) with ammonium molybdate tetrahydrate and dilute hydrochloric acid gives the corresponding molybdenum(VI) analogs [MoO2(Ln)] (n = 1, 3-7). These compounds have been spectroscopically characterized and the molecular structures of [WO2(Ln)] (n = 1, 2, 9) and [MoO2(L5)] have been established by X-ray diffraction analysis. These high-valent compounds participate in oxygen-atom transfer reactions and can catalyze the oxidation of benzoin with dimethyl sulfoxide. The complex [WO2(L10)], which contains an S-donor ligand, has lower reduction potential and higher reactivity toward oxo-transfer reactions than analogous tungsten complexes having N2O2 ligands. The kinetics of these catalytic processes along with the structure and electrochemistry of these dioxotungsten and -molybdenum complexes are described and compared.Supporting information for this article is available on the WWW under http://www.wiley-vch.de/contents/jc_2005/1999/98246_s.pdf or from the author.
    Additional Material: 7 Ill.
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