ABSTRACT: In the title hydrated salt, C(16)H(38)N(4) (2+)·2ClO(4) (-)·H(2)O, the dication is protonated at the diagonally opposite N atoms proximate to the -C(CH(3))(2)- groups. Within the cavity, there are two ammonium-amine N-H?N hydrogen bonds. Supra-molecular layers are formed in the crystal packing whereby the water mol-ecule links two perchlorate anions, and the resultant aggregates are connected to the dications via N-H?O hydrogen bonds. Layers, with an undulating topology, stack along the a axis being connected by C-H?O inter-actions.
Project description:The structure determination of the title salt, C(18)H(42)N(4) (2+)·2ClO(4) (-), reveals that protonation has occurred at diagonally opposite amine N atoms. Intra-molecular N-H⋯N hydrogen bonds stabilize the conformation of the dication. In the crystal, the dications are bridged by perchlorate ions via N-H⋯O hydrogen bonds into supra-molecular chains propagating along the c axis and weak C-H⋯O inter-actions cross-link the chains.
Project description:In the title compound, C(16)H(34)N(4) (2+)·2Cl(-)·3H(2)O, the two protonated N atoms in the macrocyclic ring of the dication are located at diagonally opposite positions. There are two intramolecular N-H?N hydrogen bonds in the cation. The crystal structure features O-H?Cl, O-H?O, C-H?Cl and N-H?Cl hydrogen bonds.
Project description:In the title compound, C(10)H(26)N(4) (2+)·2Cl(-)·0.5H(2)O, the cyclam (1,4,8,11-tetra-azacyclo-tetra-decane) dication adopts an endodentate conformation which my be inflenced by intra-molecular N-H?N hydrogen bonding. In the crystal structure, the components are linked by N-H?Cl and O-H?Cl hydrogen bonds into chains along . The water molecule is disordered over two sites in a 50:50 ratio.
Project description:The crystal structure of the title diprotonated diacetyl-triethyl-ene-tetra-mine (DAT) perchorate salt, C(10)H(24)N(4)O(2) (2+)·2ClO(4) (-), can be described as a three-dimensional assembly of alternating layers consisting of diprotonated diacetyl-triethyl-ene-tetra-mine (H(2)DAT)(2+) strands along  and the anionic species ClO(4) (-). The (H(2)DAT)(2+) cations in the strands are connected via N-H?O hydrogen bonding between the acetyl groups and the amine groups of neighbouring (H(2)DAT)(2+) cations. Layers of (H(2)DAT)(2+) strands and perchlorate anions are connected by a network of hydrogen bonds between the NH and NH(2) groups and the O atoms of the perchlorate anion. The asymmetric unit consits of one perchlorate anion in a general position, as well as of one cation that is located on a center of inversion.
Project description:The asymmetric unit of the title compound, C(16)H(34)N(4) (2+)·2I(-)·2H(2)O, contains one half-cation, one iodide anion and one water mol-ecule. The cation has crystallographically imposed centrosymmetric symmetry. Despite some differences in the unit-cell dimensions, packing analysis on a cluster of 15 cations and a comparison of the hydrogen bonding suggests that this compound is isostructural with its bromide analogue. Inter-molecular hydrogen bonding forms eight-membered [H-O-H?I](2) and [H-N-H?I](2) rings and creates a sheet structure.
Project description:The asymmetric unit of the title compound, C(10)H(26)N(4) (2+)·2C(6)H(4)NO(2) (-)·2H(2)O, consists of half of a doubly protonated 1,4,8,11-tetra-azacyclo-tetra-decane (cyclam) dication, a pyridine-2-carboxyl-ate anion and a solvent water mol-ecule. The complete dication is generated by a crystallographic centre and adopts an endodentate conformation which may be influenced by intra-molecular N-H?N hydrogen bonding. The carboxyl-ate group of the anion appears to be delocalized on the basis of the C-O bond lengths [1.257?(2) and 1.250?(2)?Å]. In the crystal structure, the components are linked by inter-molecular N-H?O, N-H?N and O-H?O hydrogen bonds.
Project description:The asymmetric unit of the title compound, [Ni(C(16)H(32)N(4))]Br(2)·2H(2)O, consists of one half [Ni(C(16)H(32)N(4))](2+) cation, one Br(-) anion and one water mol-ecule of crystallization. The Ni(II) ion lies on an inversion centre in a square-planar environment formed by the four macrocyclic ligand N atoms. In the crystal structure, the cations, anions and water mol-ecules are linked via inter-molecular N-H?Br and O-H?Br hydrogen bonds, forming discrete chains with set-graph motif D(2)D(2) (2)(7)D(2) (1)(3)D(3) (2)(8). The water mol-ecules and Br(-) ions are linked with set-graph motif R(4) (2)(8).
Project description:The asymmetric unit of the title salt, C8H14N2 (2+)·2NO3 (-), contains two independent dications and four independent nitrate anions. The crystal structure consists of discrete nitrate ions, three of which stack in layers parallel to (001) at z = 0 and 0.5. These layers are connected via m-xylylenediaminium dications. The fourth anion is sandwiched by the two independent organic cations in the asymmetric unit. In the crystal, the ions are connected by a large number of bifurcated and non-bifurcated N-H?O(O) hydrogen bonds, forming sheets parallel to (100). These sheets are connected by C-H?O hydrogen bonds, forming a three-dimensional network.
Project description:The crystal structure of the title compound, C(10)H(26)N(2) (2+)·2NO(3) (-), exhibits a back-to-back paired double-stacked packing arrangement culminating in an overall double zigzag pattern of the dications. Each pair of double-stacked dications is surrounded by a ring of ten nitrate anions. An intricate three-dimensional N---H...O and N---H...(O,O) hydrogen-bonding network exists in the crystal structure.
Project description:The title compound, C(24)H(46)N(4)O(8) (2+)·2Cl(-)·2H(2)O, was synthes-ized by the hydrolysis of tetra-ethyl 2,2',2'',2'''-(5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-decane-1,4,8,11-tetra-yl) tetra-acetate in hydro-chloric acid solution. The crystal structure of the title compound consists of a 14-membered C(10)N(4) centrosymmetric cationic macrocycle which inter-acts with the chloride ions and water mol-ecules of crystallization to give a three-dimensional hydrogen-bonded network.