journal menu
inorganic compounds
Open 
access
access
In the title salt, [Hg(NCS)(CH4N2S)3]Cl, the Hg2+ ion is coordinated in a severely distorted tetrahedral manner by three thiourea groups and one thiocyanate anion through their S atoms. The S—Hg—S angles vary widely from 87.39 (5) to 128.02 (4)°. Weak intramolecular N—H
S hydrogen bonds are observed, which form S(6) ring motifs. In the crystal, the ions are linked by N—HN and weak N—HCl interactions, generating a three-dimensional network.
S hydrogen bonds are observed, which form S(6) ring motifs. In the crystal, the ions are linked by N—HN and weak N—HCl interactions, generating a three-dimensional network.metal-organic compoundsOpen access
access
The reaction of CdCl2, 18-crown-6 and KI in water yields the title coordination polymer, [{K(C12H24O6)}2Cd2I6]n. The potassium ion lies approximately in the plane of the crown ether, coordinated by all six crown ether O atoms and also by an iodide anion bound to a cadmium atom. A C atom of the crown ether is disordered over two positions with site occupancies of 0.77 (2) and 0.23 (2). Two K(18-crown-6)+ units are linked by inversion symmetry, forming a [bis(μ2-18-crown-6)dipottasium] system with approximately square-planar K2O2 units. Inversion symmetry also generates the Cd2I6 fragment and the polymeric system is extended along the c axis by the formation of K—I—Cd bridges.
metal-organic compoundsOpen access
access
The title compound, (NH4)2[Zn(NCS)4]·2C12H24O6·H2O, the result of the reaction of ammonium thiocyanate, 18-crown-6 and zinc(II) chloride in aqueous solution, exhibits an unusual supramolecular structure. The Zn atom, two of the thiocyanate chains and a water molecule, disordered over two positions, lie on a mirror plane. The macrocycle adopts a conformation with approximate D3d symmetry. The ammonium molecules are contained within the bowl of the macrocycle via extensive N—HO hydrogen bonds and the complex molecules are linked via N—HS hydrogen bonds, forming chains along the c-axis direction. The macrocycle is disordered over two positions [refined occupancy ratio = 0.666 (8):0.334 (8)]. The S atoms of two isothiocyanate ligands are disordered within and about the mirror plane.
O hydrogen bonds and the complex molecules are linked via N—HS hydrogen bonds, forming chains along the c-axis direction. The macrocycle is disordered over two positions [refined occupancy ratio = 0.666 (8):0.334 (8)]. The S atoms of two isothiocyanate ligands are disordered within and about the mirror plane.organic compoundsOpen access
access
In the title molecular salt, C6H11N3O22+·2C6H2N3O7−·2H2O, the histidine molecule exists as a histidinium dication, being protonated at the N atom of the imidazole ring. The charges are balanced by two picrate anions and the compound crystallizes as a dihydrate. In the crystal, the components are linked via N—HO and O—HO hydrogen bonds and weak C—HO interactions, forming a three-dimensional supermolecular structure.
O and O—HO hydrogen bonds and weak C—HO interactions, forming a three-dimensional supermolecular structure.organic compoundsOpen access
access
The title compound, C14H20N4O4·0.5H2O [systematic name: (2S)-5-{[amino(iminiumyl)methyl]amino}-2-{[(1Z)-4-methoxy-2-oxidobenzylidene]azaniumyl}pentanoate hemihydrate], has been synthesized by the reaction of L-arginine and 4-methoxysalicylaldehyde and crystallizes with two independent substituted L-arginine molecules and one water molecule of solvation in the asymmetric unit. Each molecule exists as a zwitterion and adopts a Z configuration about the central C=N. The molecular conformation is stabilized by strong intramolecular N—HO hydrogen bonds that generate S(6) and S(10) ring motifs. Intermolecular N—HO and O—HO hydrogen bonds involving also the water molecule and weak intermolecular C—HOwater interactions link the molecules into an infinite one-dimensional ribbon structure extending along the b axis. The known (2S) absolute configuration for L-arginine was invoked. Weak intermolecular C—Hπ interactions are also present.
O hydrogen bonds that generate S(6) and S(10) ring motifs. Intermolecular N—HO and O—HO hydrogen bonds involving also the water molecule and weak intermolecular C—HOwater interactions link the molecules into an infinite one-dimensional ribbon structure extending along the b axis. The known (2S) absolute configuration for L-arginine was invoked. Weak intermolecular C—Hπ interactions are also present.organic compoundsOpen access
access
The asymmetric unit of the title compound, 2C13H14N2O3·C3H10NO3+·Cl−, contains two independent molecules (A and B) of the title pyrimidine derivative and one ion-pair of tris(hydroxymethyl)ammonium chloride. The pyrimidine ring in each pyrimidine derivative has a half-chair conformation. Its mean plane is inclined to the benzene ring by 87.2 (3)° in molecule A and 85.7 (2)° in molecule B. In the crystal, the pyrimidine derivatives are connected to each other by N—HO hydrogen bonds, forming chains propagating along the b-axis direction. The chains are linked via O—H—Cl hydrogen bonds, forming corrugated sheets lying parallel to the bc plane. The sheets are linked via C—HO hydrogen bonds, forming a three-dimensional framework. The tris(hydroxymethyl)ammonium chloride molecules are located in the cages of the framework. There are also further C—HO hydrogen bonds and C—Hπ interactions present in the three-dimensional framework structure. Both the cation and chloride anion of the tris(hydroxymethyl)ammonium chloride ion pair are disordered over two positions, with a refined occupancy ratio of 0.418 (8):0.582 (8) for the cation and 0.71 (4):0.29 (4) for the anion.
O hydrogen bonds, forming chains propagating along the b-axis direction. The chains are linked via O—H—Cl hydrogen bonds, forming corrugated sheets lying parallel to the bc plane. The sheets are linked via C—HO hydrogen bonds, forming a three-dimensional framework. The tris(hydroxymethyl)ammonium chloride molecules are located in the cages of the framework. There are also further C—HO hydrogen bonds and C—Hπ interactions present in the three-dimensional framework structure. Both the cation and chloride anion of the tris(hydroxymethyl)ammonium chloride ion pair are disordered over two positions, with a refined occupancy ratio of 0.418 (8):0.582 (8) for the cation and 0.71 (4):0.29 (4) for the anion.
