Search results for "Hydrogen"
showing 10 items of 4254 documents
Self-assembling resorcinarene capsules: solid and gas phase studies on encapsulation of small alkyl ammonium cations
2002
The self-assembling process of unsubstituted resorcinarenes (1, 2 and 3) to dimeric capsules encapsulating small tetra-alkyl ammonium cations 4–7 has been studied in solid and gaseous states by X-ray crystallographic and mass spectrometric methods. Hydrogen bonding and cation-π interaction as well as the proper encapsulation in the empty cavity of the capsule appear to be the most important interactions in the capsule formation process. Competitive mass spectrometric studies clearly indicated preference of the tetramethyl ammonium cation (4) over tetraethyl ammonium cation (6) and especially tetrabutyl ammonium cation (7). The crystal structures of altogether eight dimeric capsules of resor…
Crystal structure of copper(II) cimetidine sulphate nonahydrate. Cation distortion and structure isomerism in three copper(II) cimetidine complexes
1988
Abstract In the crystalline state, the complex [Cu(CM) 2 ]SO 4 ·9H 2 O (CM = cimetidine) is constituted of two-dimensional cations[Cu(CM) 2 2+ ] n separated by SO 4 2− anions and water molecules. As in the related complexes [Cu(CM) 2 ](ClO 4 ) 2 and [Cu(CM) 2 ](NO 3 ) 2 , the copper atom lies in a strongly distorted octahedral CuN 4 S 2 environment. The distortion is quite different from one complex to another (cation distortion isomerism). In the title compound the CuS bond is unusually long (2.91 A). Unlike the title compound, the [Cu(CM) 2 2+ ] n cations in the perchlorate and nitrate salts are one-dimensional infinite chains characterized by different conformations of the cimetidine mo…
Different structural destinations: comparing reactions of [CuBr2(3-Brpy)2] crystals with HBr and HCl gas
2011
Reaction of green crystalline solid trans-[CuBr2(3-Brpy)2] 1 (3-Brpy = 3-bromopyridine) with HBr (aq) vapour yields brown crystalline salt (3-BrpyH)2[CuBr4] 2 with quantitative conversion. Notably 2 adopts a different crystal structure to the three mutually isostructural compounds (3-XpyH)2[CuCl4] (X = Cl, Br) and (3-BrpyH)2[CuBr2Cl2] which result from reaction with HCl. Crystalline product 2 has been characterised by X-ray powder diffraction and its conversion back to 1 at 370–400 K has been followed in situ by synchrotron X-ray powder diffraction. Crystalline 1 and 2 are further notable for the presence of intermolecular C–Br⋯Br–Cu halogen bonds and (only in the case of 2) N–H⋯Br–Cu hydro…
“Tail–Tail Dimerization” of Ferrocene Amino Acid Derivatives
2010
Acid anhydrides of N-protected 1'-aminoferrocene-1-carboxylic acid (Fca) have been prepared and spectroscopically characterized (protection group Boc, Fmoc, Ac; 4a―4c). The structure of the Boc-derivative 4a has been determined by single-crystal X-ray crystallography. An intramolecular N― H···O hydrogen bond involving the carbamate units results in a ring structure containing the two ferrocene units, the anhydride moiety, and the hydrogen bond. In the crystal, the individual molecules are connected by intermolecular N-H···O hydrogen bonds of the carbamate unit. Experimental and theoretical studies suggest that the ring motif is also a dominant species in solution. Electronic communication a…
Two-dimensional assembling of 4,4'-bipyridine and 4,4'-azopyridine bridged iron(II) linear coordination polymers via hydrogen bond
1999
[EN] Novel two-dimensional polymers, [Fe(L-1)(H2O)(2)(NCX)(2)]. L-1 (L-1 =4.4'-bipyridine (bipy)) (1, 2) and [Fe(L-2)(CH3OH)(2)-(NCX)(2)]. L-2 (L-2 =4,4'-azopyridine (azpy)) (3) and X = S (1, 3), Se (2), have been synthesized and characterized by X-ray crystallography. The structures reveal the formation of tranzs-L-bridged [Fe(NCX)(2)(Y)(2)] where Y=H2O, CH3OH linear chains assembled into two-dimensional networks by hydrogen bonds between the uncoordinated ligand L and the coordinated solvent molecules.
Non-Isomorphic Chlorine—Bromine Substitution in the Copper(I) Halideπ-Complexes with 1-Allyl-4-aminopyridinium
2003
By alternating-current electrochemical synthesis crystals of {Cu[H2NC5H4N(C3H5)]Br2}˙H2O (I), {Cu[H2NC5H4N(C3H5)]Br0.65Cl1.35}˙H2O (II) and {Cu[H2NC5H4N(C3H5)]Cl2} (III) π-complexes have been obtained and structurally investigated. The I and II compounds are isostructural and crystallize in a monoclinic sp. gr. P21/c, I: a = 7.359(2)A, b = 12.3880(6)A, c = 13.637(3)A, β = 107.03(1)°, V = 1188.7(4)A3, Z = 4 for C8H13N2OBr2Cu composition, R = 0.0293 for 2140 reflections. II: a = 7.2771(6)A, b = 12.3338(3)A, c = 13.4366(7)A, β = 107.632(2)°, V = 1149.3(1)A3, Z = 4 for C8H13N2Br0.65Cl1.35Cu composition, R = 0.0463 for 2185 reflections. Metal and halogen atoms form centrosymmetric Cu2X4 dimers. …
Synthesis and characterisation of polymeric manganese and zinc 5-hydroxyisophthalates
2001
Abstract The crystallisation of 5-hydroxyisophthalic acid with divalent Mn or with Mn or Zn and either 2,2-bipyridine (2,2-bipy) or pyridine-2-(1H-pyrazol-3-yl) gave solids of composition [Mn(C8H4O5)(H2O)3]·2H2O (1), [Mn(C8H4O5)(2,2′-bipy)]·H2O (2), [Mn2(C8H4O5)2(C8H7N3)2]·H2O (3) and [Zn(C8H4O5)(2,2′-bipy)] (4). Each compound has 1D co-ordinative chains that are connected by hydrogen bonds. Compounds 2–4 contain M2C2O4 rings with pseudo-chair geometries. The Mn atoms in 2 are coupled antiferromagnetically.
Diferrocenyl tosyl hydrazone with an ultrastrong NHFe hydrogen bond as double click switch.
2014
The intramolecular NH⋯Fe hydrogen bond in diferrocenyl hydrazone 2 raises the barrier for intramolecular electron transfer in its mixed-valent cation 2+ and is only disrupted by double oxidation to 22+.
Triple associates based on (oxime)Pt(II) species, 18-crown-6, and water: Synthesis, structural characterization, and DFT study
2014
Abstract The associates 2(cis-[PtCl2(acetoxime)2])⋅18-crown-6⋅2H2O (1), 2(cis-[PtBr2(acetoxime)2])⋅18-crown-6⋅2H2O (2), and trans-[PtCl2(acetaldoxime)2]⋅(18-crown-6)⋅2H2O (3) were synthesized by co-crystallization of free corresponding platinum species and 18-crown-6 from wet solvents and characterized by 1H NMR and IR spectroscopies, high-resolution mass-spectrometry (ESI), TG/DTA, and X-ray crystallography. The (oxime)Pt(II) species are assembled with 18-crown-6 and water by hydrogen bonding between the hydroxylic hydrogen atoms of the oxime ligands and the oxygen atom of water and between the hydrogen atoms of water and the oxygen atoms of 18-crown-6. In 2(cis-[PtX2(acetoxime)2])⋅18-crow…
Ferrocenyl-Labeled Sugar Amino Acids: Conformation and Properties
2012
Novel organometallic sugar amino acid conjugates 1–5 have been prepared by amide coupling of O-protected N-acetylmuramic acid and iso-muramic acid (2-[3-amino-2, 5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid) with 1-aminoferrocene, 1-aminoferrocene-1′-carboxylic acid (H-Fca-OH), or 1, 1′-diaminoferrocene, respectively. The influence of the ferrocenyl moiety and presence of additional remote potential hydrogen atom acceptors and donors at the ferrocenyl core on the conformation and lipophilicity is investigated by TLC, IR, NMR, and CD spectroscopic methods augmented by density functional calculations. Furthermore, the redox potential of the ferrocene/ferrocenium couple is tuned by…