Crystal structure of bis-[2-(1H-benzimid-azol-2-yl)-4-bromo-phenolato-κ(2) N (3),O]cobalt(II).

The asymmetric unit of the title Co(II) complex, [Co(C13H8BrN2O)2], contains two independent mol-ecules (A and B). In both mol-ecules, the Co(II) cation is N,O-chelated by two 2-(1H-benzimidazol-2-yl)-4-bromo-phenolate anions in a distorted tetra-hedral geometry. In mol-ecule A, both chelating rings display an envelope conformation, with the flap Co atom lying 0.

1-(4-Bromo-benz-yl)-2-(4-bromo-phen-yl)-1H-benzimidazole.

There are two mol-ecules in the asymmetric unit of the title compound, C20H14Br2N2. In the first, the dihedral angles between the mean plane of the benzimidazole group and those of the 4-bromo-benzyl and 4-chloro-phenyl groups are 50.72 (17) and 71.

Bis(adamantan-1-aminium) tetrachloridozincate(II) 18-crown-6 monohydrate clathrate.

The structure of the title compound [systematic name: bis(adamantan-1-aminium) tetrachloridozincate(II)-1,4,7,10,13,16-hexaoxacyclooctadecane-water (1/1/1)], (C(10)H(18)N)(2)[ZnCl(4)] x C(12)H(24)O(6) x H(2)O, consists of supramolecular rotator-stator assemblies and ribbons of hydrogen bonds parallel to [010]. The assemblies are composed of one protonated adamantan-1-aminium cation and one crown ether molecule (1,4,7,10,13,16-hexaoxacyclooctadecane) to give an overall [(C(10)H(18)N)(18-crown-6)](+) cation. The -NH(3)(+) group of the cation nests in the crown and links to the crown-ether O atoms through N-H.

Propane-1,3-diaminium tetrachloridozincate(II) 18-crown-6 clathrate.

The reaction of propane-1,3-diamine hydrochloride, 18-crown-6 and zinc(II) chloride in methanol solution yields the title complex salt [systematic name: propane-1,3-diaminium tetrachloridozincate(II)-1,4,7,10,13,16-hexaoxacyclooctadecane (1/1)], (C(3)H(12)N(2))[ZnCl(4)] x C(12)H(24)O(6), with an unusual supramolecular structure. The diprotonated propane-1,3-diaminium cation forms an unexpected 1:1 supramolecular rotator-stator complex with the crown ether, viz. [C(3)H(12)N(2)(18-crown-6)](2+), in which one of the -NH(3)(+) substituents nests in the crown and interacts through N-H.

2-(Chloro-meth-yl)benzimidazolium chloride.

The structure of title compound, C(8)H(8)ClN(2) (+)·Cl(-), comprises discrete ions which are inter-connected by N-H⋯Cl hydrogen bonds, leading to a neutral one-dimensional network in [001]. This hydrogen bonding appears to complement π-π stacking inter-actions [centroid-centroid distances 3.768 (2) and 3.

Redetermination of 3-(ammonio-meth-yl)pyridinium dichloride.

The crystal structure of the title compound, C(6)H(10)N(2) (2+)·2Cl(-), has been reported previously in the non-standard setting P2(1)/a [Genet (1965 ▶). Bull. Soc.

Oxonium 2-carb-oxy-3-(2-fur-yl)acrylate.

In the title compound, H(3)O(+)·C(8)H(5)O(5) (-), neighbouring cations and anions are linked by O-H⋯O hydrogen bonds, forming a one-dimensional chain framework along [001]. The crystal structure is further stabilized by π-π inter-actions, with centroid-centroid distances of 3.734 (3) Å.

3-(2-Pyrid-yl)-5-(4-pyrid-yl)-4-(p-tol-yl)-1H-1,2,4-triazole.

In the mol-ecule of the title compound, C(19)H(15)N(5), the dihedral angles formed by the plane of the triazole ring with those of the 2-pyridyl, 4-pyridyl and p-tolyl rings are 28.12 (10), 34.62 (10) and 71.

2-Carb-oxy-1-phenyl-ethanaminium perchlorate.

In the title compound, C(9)H(12)NO(2) (+)·ClO(4) (-), an intra-molecular N-H⋯O inter-action results in the formation of a six-membered ring having a twisted chair conformation. In the crystal structure, inter-molecular O-H⋯O, N-H⋯O and C-H⋯O inter-actions link the mol-ecules into a network. A weak C-H⋯π inter-action is also found.

Dimethyl 1-cyano-methyl-1H-pyrazole-3,5-dicarboxyl-ate.

The title mol-ecule, C(9)H(9)N(3)O(4), syhthesized from 1H-pyrazole-3,5-dicarboxylic acid and 2-bromo-acetonitrile, is approximately planar; the inter-planar angles between the pyrazole ring and the mean planes of the two carboxylate units and the cyanomethyl unit are 4.49 (10), 5.56 (9) and 5.

2-Carb-oxy-1-(3-nitro-phen-yl)ethanaminium perchlorate.

In the cation of the title compound, C(9)H(11)N(2)O(4) (+)·ClO(4) (-), the conformation is stabilized by an intra-molecular N-H⋯O hydrogen bond. In the crystal packing, centrosymmetrically related cations inter-act through inter-molecular O-H⋯O hydrogen bonds involving the carb-oxy groups, forming dimers. The dimers and the perchlorate anions are further linked into layers parallel to the ab plane by C-H⋯O and N-H⋯O hydrogen-bonding inter-actions.

2-Carb-oxy-1-phenyl-ethanaminium nitrate.

In the title salt, C(9)H(12)NO(2) (+)·NO(3) (-), the cation and anion are linked by a bifurcated N-H⋯(O,O) hydrogen bond. The crystal packing is stabilized by inter-molecular N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds, which connect neighbouring cations and anions, resulting in a two-dimensional network.

5-p-Tolyl-1H-tetra-zole.

The title compound, C(8)H(8)N(4), possesses crystallographic mirror symmetry, with four C atoms lying on the reflecting plane, which bis-ects the phenyl and tetra-zole rings. It is composed of a planar r.m.

Does the surface matter? Hydrogen-bonded chain formation of an oxalic amide derivative in a two- and three-dimensional environment.

We report on a multi-technique investigation of the supramolecular organisation of N,N-diphenyl oxalic amide under differently dimensioned environments, namely three-dimensional (3D) in the bulk crystal, and in two dimensions on the Ag(111) surface as well as on the reconstructed Au(111) surface. With the help of X-ray structure analysis and scanning tunneling microscopy (STM) we find that the molecules organize in hydrogen-bonded chains with the bonding motif qualitatively changed by the surface confinement. In two dimensions, the chains exhibit enantiomorphic order even though they consist of a racemic mixture of chiral entities.

Homochiral laminar europium metal-organic framework with unprecedented giant dielectric anisotropy.

Hydrothermal (deuteratothermal) reaction of L-ethyl lactate (Lig-Et) with Eu(ClO(4))(3)6 H(2)O gives colorless block crystals of [Eu(Lig)(2)(X(2)O)(2)][ClO(4)] (1, X=H; 2, X=D) both of which possess a two-dimensional laminar homochiral framework. Single-crystal dielectric measurements reveal that 1 and 2 display a giant dielectric anisotropy approximately exceeding 100 and large isotopic effect with about 54 % enhancement along the a axis. Their ferroelectric features further confirm this respect.

In situ hydrothermal synthesis of tetrazole coordination polymers with interesting physical properties.

Tetrazole compounds have been studied for more than one hundred years and applied in various areas. Several years ago Sharpless and his co-workers reported an environmentally friendly process for the preparation of 5-substituted 1H-tetrazoles in water with zinc salt as catalysts. To reveal the exact role of the zinc salt in this reaction, a series of hydrothermal reactions aimed at trapping and characterizing the solid intermediates were investigated.

1-(3-Amino-1H-inden-2-yl)ethanone.

The title compound, C(11)H(11)NO, was synthesized by the reaction of 2-(bromo-meth-yl)benzonitrile and acetyl-acetone in the presence of KOH. In the crystal packing, mol-ecules are linked by inter-molecular N-H⋯O hydrogen bonds into chains running parallel to the b axis. Centrosymmetrically-related chains inter-act further through weak C-H⋯π inter-actions.

(E)-5,5'-(Diazene-1,2-di-yl)diisophthalic acid N,N-dimethyl-formamide disolvate.

The title compound, C(16)H(10)N(2)O(8)·2C(3)H(7)NO, was synthesized by the reductive condensation reaction of 5-nitro-isophthalic acid in the presence of NaOH. The tetra-acid mol-ecule, which has a crystallographically imposed centre of symmetry, adopts an E configuration with respect to the azo group. In the crystal packing, mol-ecules are linked through inter-molecular O-H⋯O and C-H⋯O hydrogen-bonding inter-actions, forming chains propagating in [20].

catena-Poly[cadmium(II)-(μ-3-ammonio-3-phenyl-propanoato-κO:O')-di-μ-chlorido].

The title compound, [CdCl(2)(C(9)H(11)NO(2))](n), is a coordination polymer prepared by the hydro-thermal reaction of cadmium(II) chloride and 3-amino-3-phenyl-propanoic acid. Geometric parameters are in the usual ranges. The cadmium cation is octa-hedrally coordinated by four Cl atoms at equatorial sites and two O atoms from two ligands at the axial sites.

Poly[diaqua-1κO-bis[μ(3)-2-(1H-tetra-zol-5-yl)benzoato(2-)]dicadmium(II)].

The title compound, [Cd(2)(C(8)H(4)N(4)O(2))(2)(H(2)O)(2)](n), is a coordination polymer prepared by the hydro-thermal reaction of cadmium(II) chloride and 2-(1H-tetra-zol-5-yl)benzoic acid. Two types of coordinated cadmium cations exist in the structure. One is located on a twofold axis and is coordinated by four O and two N atoms from four symmetry-related ligands, forming a trigonal-prismatic coordination polyhedron.

2,2'-Bis(4-nitro-phen-oxy)-1,1'-binaphth-yl.

The title compound, C(32)H(20)N(2)O(6), was synthesized by the reaction of 1,1'-binaphthyl-2,2'-diol and 4-nitro-phenol in the presence of K(2)CO(3). The two naphthalene systems make a dihedral angle of 73.70 (5)°.

(1Z,1'Z,3E,3'E)-1,1'-Diphenyl-3,3'-[(1S,2S)-cyclo-hexane-1,2-diyldinitrilo]dibut-1-en-1-ol.

A new tetra-dentate chiral Schiff base ligand, C(26)H(30)N(2)O(2), has been synthesized by the reaction of 1-phenyl-butane-1,3-dione with (1S,2S)-(-)-1,2-diamino-cyclo-hexane. The chiral centers in the mol-ecule have the same S configuration, since the absolute configuration was determined by that of the starting reagent (1S,2S)-(-)-1,2-diamino-hexane. The cyclo-hexane ring is in a chair conformation, and the substituents are equatorial in the most stable conformation (trans-cyclo-hexyl).

Poly[aqua-[μ(3)-5-(2-carboxyl-atophen-yl)-1H-tetra-zolato]zinc(II)].

The title coordination polymer, [Zn(C(8)H(4)N(4)O(2))(H(2)O)](n), was prepared by the hydro-thermal reaction of zinc nitrate and 2-(1H-tetra-zol-5-yl)benzoic acid. Two types of coordinated zinc cations exist in the structure. One is tetra-hedrally coordinated by two O and two N from two ligands, the other is octa-hedrally coordinated by two N and two O from two ligands at equatorial sites and by two O atoms of water mol-ecules at axial sites, resulting in a two-dimensional framework.

(2Z,2'Z,4E,4'E)-4,4'-(Cyclo-hexane-1,2-diyldinitrilo)dipent-2-en-2-ol.

A new tetra-dentate chiral Schiff base ligand, C(16)H(26)N(2)O(2), has been synthesized by the reaction of acetyl-acetone with (1R,2R)-(-)-1,2-diamino-cyclo-hexane. Both of the mol-ecules in the asymmetric unit are of the same chirality (R configuration), since the absolute configuration was determined by the starting reagent (1R,2R)-(-)-1,2-diamino-cyclo-hexane. The six-membered cyclo-hexane ring is in a chair conformation, and the substituents are equatorial in the most stable conformation (trans-cyclo-hexyl).