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  • 1
    Electronic Resource
    Electronic Resource
    Molecular structure and hydrogen bonding of 4-dimethylaminopyridinioacetate in its crystalline dihydrate and hydrochloride trihydrate, L·2H2O and [L2H]Cl·3H2O (L=p-Me2NC5H4N+CH2CO2 −) (1996)
    Springer
    Journal of chemical crystallography 26 (1996), S. 133-139 
    Details
    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.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01669730
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  • 2
    Electronic Resource
    Electronic Resource
    Inclusion compounds of thiourea and peralkylated ammonium salts. Part II. Hydrogen-bonded host lattices built of thiourea and cyclic dimeric bicarbonate moieties (1994)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 20 (1994), S. 73-88 
    Details
    ISSN: 1573-1111
    Keywords: Thiourea ; tetraalkylammonium salt ; bicarbonate dimer ; hydrogen bonding ; inclusion compound
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract New inclusion complexes R4N+HCO 3 − ·x(NH2)2CS·yH2O (1, R=C2H5,x=1,y=1;2, R=n−C3H7,x=2,y=0;3, R=n−C4H9,x=3,y=0) have been prepared and characterized by X-ray crystallography. Crystal data, MoK α radiation:1, space groupPbca,Z=8,a=8.839(2),b=14.930(3),c=24.852(5) Å, andR F=0.063 for 1419 observed data;2, space groupC2221,Z=8,a=8.521(3),b=16.941(4),c=32.022(7) Å,R F=0.054 for 1689 observed data;3, space group $$P\bar 1$$ ,Z=2,a=9.553(2),b=12.313(3),c=14.228(4) Å, α=90.44(2),β=103.11(2), γ=110.12(2)°,R F=0.044 for 3925 observed data. In the crystal structure of1, the thiourea molecules form hydrogen-bonded zigzag ribbons running parallel to thea axis, and the cyclic dimeric bicarbonate moieties (HCO 3 − )2 together with water molecules behave likewise. A puckered layer is formed by further lateral hydrogen bonding between these two types of ribbons, and the (C2H5)4N+ cations occupy the space between adjacent layers. In the crystal structure of2, the thiourea ribbons are cross-linked orthogonally by (HCO 3 − )2 unitsvia N−H...O hydrogen bonds to form a composite double layer. Half of the cations are enclosed within and the other half sandwiched between these double layers. In the crystal structure of3, the thiourea molecules form puckered double ribbons running in the [110] direction. The host framework is constructed by cross-linking the double ribbons with bridging bicarbonate dimers, yielding two channel systems aligned parallel to [100] and [111] that accommodate the cationic guests. The structural relationship between the present complexes and the classical thiourea channel adducts is discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00707613
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  • 3
    Electronic Resource
    Electronic Resource
    Crystal structure of tetraethylammonium fluoride-water (4/11), 4(C2H5)4N+F− · 11H2O, a clathrate hydrate containing linear chains of edge-sharing (H2O)4F− tetrahedra and bridging water molecules (1985)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 3 (1985), S. 347-354 
    Details
    ISSN: 1573-1111
    Keywords: Crystal structure ; clathrate hydrate ; hydrogen bonding ; tetraethylammonium fluoride
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Crystals of 4(C2H5)4N+F− · 11H2O are orthorhombic, space groupPna21, witha=16.130(3),b=16.949(7),c=17.493(7) Å, andZ=4. The structure was shown to be a clathrate hydrate containing infinite chains of edge-sharing (H2O)4F− tetrahedra extending parallel to thea axis. The chains are laterally linked by bridging water molecules to form a three-dimensional hydrogen-bonded anion/water framework. The ordered (C2H5)4N+ cations occupy the voids in two open channel systems running in theb andc directions. FinalR F =0.091 for 2278 observed MoK α data measured at 22°C.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00655735
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  • 4
    Electronic Resource
    Electronic Resource
    Tetraethylammonium acetate tetrahydrate, (C2H5)4N+ CH3COO− · 4H2O, a layer structure with cations sandwiched between nets of puckered polygons formed by hydrogen-bonded anions and water molecules (1986)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 4 (1986), S. 273-280 
    Details
    ISSN: 1573-1111
    Keywords: Crystal structure ; layer structure ; hydrate ; hydrogen bonding ; tetraethylammonium acetate
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Crystals of (C2H5)4N+ CH3COOO− · 4H2O crystallize in space groupP ī, witha=12.327(2),b=17.196(6),c=8.753(3) Å, α=94.28(2), β=91.09(2), γ=120.30(2)°, andZ=4. The structure was solved by direct methods and refined toR F -0.060 for 4803 MoKα data. In the crystal structure, ordered (C2H5)4N+ cations are sandwiched between puckered layers of hydrogen-bonded water molecules and acetate anions. Each wateranion layer is constructed from an edge-sharing assembly of six independent, irregular, and non-planar polygons (two nonagons, two hexagons and two pentagons). All protons in the scheme of hydrogen bonding are uniquely located.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00658001
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  • 5
    Electronic Resource
    Electronic Resource
    Tetraethylammonium chloride tetrahydrate, a ‘double channel’ host lattice constructed from (H2O)4Cl− tetrahedra linked between vertices (1986)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 4 (1986), S. 295-302 
    Details
    ISSN: 1573-1111
    Keywords: Crystal structure ; channel structure ; hydrogen bonding ; tetraethylammonium chloride tetrahydrate
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Crystals of (C2H5)4NCl·4H2O are orthorhombic, space groupCcca, witha=19.104(3),b=23.084(4),c=13.330(3) Å, andZ=16. The structure features an anionic host lattice constructed from the linkage of (H2O)4Cl− tetrahedra by hydrogen bonds between vertices, generating two open linear channel systems which accommodate the ordered cations. FinalR F =0.080 for 1516 observed MoKα data measured at 22°C.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00658004
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  • 6
    Electronic Resource
    Electronic Resource
    Synthesis and crystal structure ofN,N′-DicyclohexylpiperazineN,N′-dioxide octahydrate (1988)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 6 (1988), S. 461-471 
    Details
    ISSN: 1573-1111
    Keywords: N,N′-dicyclohexylpiperazine ; N-oxide, hydrate ; crystal structure ; hydrogen bonding
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract N,N′-DicyclohexylpiperazineN,N′-dioxide octahydrate, C16H46N2O10,M r=426.55, monoclinic, space groupC2/m (No. 12),a=12.961(4),b=11.533(4),c=7.907(1) Å, β=98.37(2)o,V=1169.3(6) Å3,Z=2. The structure was solved by the direct method and refined toR=0.045 for 1192 observed MoK α reflections. TheN,N′-dioxide molecule occupies a site of symmetry 2/m. The piperazine ring takes the chair form with the two N−O bonds oriented axially in atrans configuration. Hydrogen bonding between the water molecules, as well as between theN-oxide groups and water molecules, gives rise to a puckered layer composed of edge-sharing four-membered, five-membered, six-membered, and eight-membered rings. Adjacent layers are cross-linked by theN,N′-dicyclohexylpiperazine moieties lying between them, thereby generating a ‘sandwich’ structure consolidated by covalent and hydrogen bonding.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00660744
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  • 7
    Electronic Resource
    Electronic Resource
    Crystal structure of a non-stoichiometric channel inclusion complex of 1-benzyl-6-phenylpiperidin-2-one-5-carboxylic acid with acetonitrile (1988)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 6 (1988), S. 507-513 
    Details
    ISSN: 1573-1111
    Keywords: 1-Benzyl-6-phenylpiperidin-2-one-5-carboxylic acid ; acetonitrile ; inclusion compound ; hydrogen bonding ; disorder
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract C19H19NO3·x CH3CN (x=0.3),M r=643.35, hexagonal, space groupP61 (No. 169),a=23.027(5),c=5.775(1) Å,V=2652(1) Å3,Z=6. The structure was solved by direct methods and refined toR=0.077 for 1562 observed MoK α reflections. The title heterocyclic carboxylic acid was established as thetrans isomer, with the phenyl and carboxyl substituents occupying pseudo-equatorial and equatorial positions, respectively, of the piperidin-2-one ring in a half-chair conformation. Acid host molecules related by the 61 screw operation are linked by intermolecular O−H...O (cyclic amide) hydrogen bonds to generate an open channel bounded by coaxial intertwined helices each having a pitch of 5c. Within each channel of free diameterca. 6.0 Å the acetonitrile molecules partially occupy highly disordered sites which do not lie on thec axis.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00660748
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  • 8
    Electronic Resource
    Electronic Resource
    Inclusion Compounds of Thiourea and Peralkylated Ammonium Salts. Part V. Hydrogen-Bonded Host Lattices Built of Thiourea and Acetate Ions (1997)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 28 (1997), S. 183-204 
    Details
    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.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1007941215980
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  • 9
    Electronic Resource
    Electronic Resource
    Hydrogen-bonded urea-anion host lattices. Part 2. Crystal structures of inclusion compounds of urea with tetraalkylammonium bicarbonates (1995)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 23 (1995), S. 233-244 
    Details
    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.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00709581
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  • 10
    Electronic Resource
    Electronic Resource
    Hydrogen-Bonded Urea-Anion Host Lattices. Part 4. Comparative Study of Inclusion Compounds of Urea with Tetraethylammonium and Tetraethylphosphonium Chlorides (1997)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 28 (1997), S. 151-161 
    Details
    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).
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1007985329632
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