Hydrogen bonded supramolecular network in a simple organic-inorganic salt: hydrophilic gallery formed between two hydrophobic layers in the crystal structure of [C<SUB>6</SUB>H<SUB>9</SUB>N<SUB>2</SUB>]ClO<SUB>4</SUB>&#183;H<SUB>2</SUB>O

Orthophenylene diammonium cation, perchlorate anion and a crystal water molecule assemble into a unique hydrogen bonded supramolecular network consisting of a hydrophobic double layer with a hydrophilic gallery in it

First alkaline earth 2-carbamoyl-4-nitrobenzoate: Synthesis and supramolecular structure

1662-16662-Carbamoyl-4-nitrobenzoic acid (2-ca-4nbaH) has been prepared by alkaline hydrolysis of 4-nitrophthalimide. Aqueous reaction of MgCO3 with 2-ca-4nbaH results in the formation of [Mg(H2O)6](2-ca-4nba)2, which crystallizes in the centrosymmetric monoclinic space group P21/c with Mg(II) situated on an inversion center. The crystal structure consists of a distorted octahedral hexaaquamagnesium(II) cation and a free uncoordinated 2-ca-4nba anion. The cation and anion are involved in three varieties of H-bonding interactions, resulting in a supramolecular bilayer of 2-ca-4nba anions sandwiched between layers of [Mg(H2O)6]2+ cations

On the distorted {NiN₆} octahedron in hexakis(imidazole)nickel(II) bis(4-nitrobenzoate) dihydrate

181-188The reaction of [Ni(H₂O)₆]Cl₂ with the sodium salt of 4-nitrobenzoic acid (4-nbaH) in the presence of imidazole results in the formation of the title compound hexakis(imidazole)nickel(II) bis(4-nitrobenzoate) dihydrate (1). Compound (1) is dehydrated to hexakis(imidazole)nickel(II) bis(4-nitrobenzoate) (2) by heating at 100oC. Both compounds are characterized by elemental analysis, infrared spectra, X-ray powder pattern and thermal studies. The title compound [Ni(Im)₆](4-nba)₂.2H₂O (1) crystallizes in the centrosymmetric triclinic space group P₁⁻ with the Ni(II) situated on an inversion center. The structure of (1) consists of a distorted octahedral hexakis(imidazole)nickel(II) cation, a free uncoordinated 4-nba anion and a lattice water with half of the molecule accounting for the asymmetric unit. In the complex cation the central metal is bonded to six neutral terminal Im ligands. The distortion of the {NiN6}octahedron in (1) is discussed in terms of the difference between the longest and shortest Ni-N bonds. A comparative study of several [Ni(Im)6]2+ compounds in different structural environments is described. In the crystal structure, the cation, anion and lattice water are linked by three types of H-bonding interactions comprising two O-H•••O, three N-H•••O and three C-H•••O interactions. Each hexacoordinated Ni(II) complex cation is linked to eight symmetry related 4-nba anions and four different lattice water molecules via N-H•••O and C-H•••O interactions, while each 4-nba anion is H-bonded to four complex cations and two symmetry related lattice water molecules. Pairs of [Ni(Im)₆]²⁺ cations and 4-nba anions are linked to lattice water molecules via O-H•••O and C-H•••O interactions. As a result of the hydrogen bonding interactions, the cations and anions are organized into alternating layers

Structural characterization of catena-[bis(μ-4-nitrobenzoato)-diaqua-calcium 4,4'-bipyridine] and catena-[bis(μ-4-nitrobenzoato)-diaqua-calcium 1H-1,2,4-triazole]

785-796An attempted incorporation of N-donor ligand in the coordination sphere of Ca in the molecular solid [Ca(H2O)4(4-nba)2] (4-nba=4-nitrobenzoate) resulted in the formation of the one-dimensional (1D) coordination polymers catena-[bis(μ-4-nitrobenzoato)-diaqua-calcium 4,4'-bipyridine] 1 and catena-[bis(μ-4-nitrobenzoato)-diaqua-calcium 1H-1,2,4-triazole] 2 with the N-heterocycle functioning as a solvate. The syntheses, crystal structures and properties of [Ca(H2O)2(4-nba)2]•L (L=4,4′-bipyridine 1; L=1H-1,2,4-triazole 2) are reported. The central Ca(II) in 1 and 2 exhibits eight-coordination and the aqua ligands are terminal, while 4-nitrobenzoate functions as a μ2-bridging ligand. The μ2-η2:η1 tridentate binding mode of the 4-nba ligand results in the formation of an infinite chain of edge-sharing {CaO8} polyhedra flanked by the 4-nitrobenzoates. The solvate 4,4′-bipyridine in 1 (or 1,2,4-triazole in 2) links adjacent polymeric chains with the aid of O-H∙∙∙N hydrogen bonding interactions. A comparative study of {CaOx} polyhedral linking in structurally characterized calcium coordination polymers based on 4-nitrobenzoate is described

A study on types of hydrogen bonding in crystal structure of 1-acetyl-3-thiosemicarbazide

592-596The unit cell structure of 1-acetyl-3-thiosemicarbazide (ATSC) and the types of hydrogen bonds present in crystalline form are envisaged from single crystal X-ray diffraction studies. The presence of four types of hydrogen bonds in crystal packing is evident (N─H• • •O, N─H• • •N, N─H• • •S and O─H• • •O) from the results obtained in present study. The topological analysis of hydrogen bonds indicated both inter- and intramolecular hydrogen bonding. Presence of water molecule is evident in its structure indicating that the title compound is in hydrated form. The single crystal X-ray diffraction data corresponding to hydrogen bonding reveals the hydrogen-bond strength sequence as: N─H• • •N > O─H• • •O > N─H• • •O > N─H• • •S

Soft synthesis of a metal-organic framework based on a tribarium building block

1064-1072Reaction of MCO3 (M = Ba or Ca) with benzene-1,3,5-tricarboxylic acid (H3btc) in aqueous medium at room temperature affords in good yields the metal-organic framework material [Ba3(btc)2(H2O)8]·2H2O (1) or the layer compound [Ca3(btc)2(H2O)12] (2). The structure of (1) is a three-dimensional polymer based on a tribarium building unit. In the trinuclear building block, the central Ba(II) situated on an inversion centre exhibits ten coordination, while the symmetry equivalent terminal Ba(II) ions are eight coordinated. The μ6-heptadentate bridging binding mode of the unique btc ligand in (<b style="mso-bidi-font-weight: normal">1) results in a 3-D structure with two water molecules situated in the pores. Compound (2) exhibits a two-dimensional structure, unlike the compositionally similar d-block compounds [M3(btc)2(H2O)12] (M = Co, Ni, Zn) which are one-dimensional. A comparative study of several compounds containing the {M3(btc)2} unit is described

Mononuclear Bis(3-aminoquinoline)Zn(II) complexes:

A series of two new Zn(II) complexes derived from 3-aminoquinoline are reported. The complexes were synthesized by the interaction of 3-aminoquinoline and Zn(II) ions in 2:1 molar ratio. The structure of synthesized complexes is investigated by elemental analyses, ESI-MS, FT-IR, 1H and 13C NMR and UV–Vis spectroscopic studies. A single crystal X-ray diffraction measurement study reveals tetrahedral geometry around the zinc ion, and existence as a neutral discrete molecule