Synthesis and crystal structure of catena-poly[[hexaaqua{μ3-2-[bis(carboxylatomethyl)amino]terephthalato}dicobalt(II)] pentahydrate] containing water tapes and pentamers

The title coordination polymer, {[Co2(C12H7NO8)(H2O)6]·5H2O} n , was crystallized at room temperature from an aqueous solution of 2-aminodiacetic terephthalic acid (H4adtp) and cobalt(II) nitrate. The asymmetric unit consists of one adtp4− ligand, one and two half CoII ions, six water ligands coordinated to CoII ions and five uncoordinated water molecules. Two of the cobalt cations lie on centres of inversion and are coordinated in octahedral O2(OH2)4 environments, whereas the other adopts a slightly distorted octahedral NO3(OH2)2 environment. The crystal structure contains parallel stacked, one-dimensional zigzag chains, {[Co2(C12H7NO8)(H2O)6]} n , which assemble into a three-dimensional supramolecular architecture via networks of hydrogen bonds involving the coordinated and free water molecules. One-dimensional `water tapes' are formed, containing alternating six-membered and twelve-membered rings of water molecules, together with water pentamers, in which a central uncoordinated water molecule is hydrogen bonded to two coordinated and two free water molecules in a tetrahedral arrangement.

A new three-dimensional coordination polymer of SrIIbased on dipicolinic acid, with different coordination environments for SrII

A three-dimensional coordination polymer of SrIIbased on dipicolinic acid (pydcH2) has been synthesized and characterized, namely poly[[diaquabis(μ3-6-carboxypyridine-2-carboxylato)bis(μ4-pyridine-2,6-dicarboxylato)tristrontium(II)] dihydrate], {[Sr3(C7H3NO4)2(C7H4NO4)2(H2O)2]·2H2O}n. The asymmetric unit consists of two unique SrIIcentres (one of them situated on an inversion centre), two independent pydc2−ligands, and one coordinated and one uncoordinated water molecule. The two independent SrIIcations are surrounded by water and dipicolinate molecules in distorted square-antiprism and distorted tricapped trigonal prismatic geometries. The dipicolinate ligands adopt μ3- and μ4-bridging modes, linking the alkaline earth metal centres into a three-dimensional coordination framework. One dipicolinate ligand is doubly deprotonated, while the other is singly deprotonated.

A new compound in kidney stones? Powder X-ray diffraction study of calcium glycinate trihydrate

The present identification of a new compound in kidney stones is relevant in clinical practice. Here, poly[[di-μ-aqua-bis(glycinato-κ2N,O)calcium(II)] monohydrate], {[Ca(C2H4NO2)2(H2O)2]·H2O}n, has been identified in a possible kidney concretion, although it could be a `false calculus' associated with Munchausen syndrome. The crystal packing is characterized by an infinite zigzag chain of Ca atoms in [Ca(OW)4O2N2] (OWis a water O atom) square antiprisms, sharing edges formed by water molecules. An uncoordinated water molecule interconnects the parallel chains in a three-dimensional hydrogen-bonding scheme. Similarities between the trihydrate and the monohydrate are described.

Decaaquabis(μ3-4-hydroxypyridine-2,6-dicarboxylato)bis(4-hydroxypyridine-2,6-dicarboxylato)tetramanganese(II) 3.34-hydrate: a new three-dimensional open metal–organic framework based on a tetranuclear MnIIcomplex of chelidamic acid and undecameric stitching water clusters

4-Hydroxypyridine-2,6-dicarboxylic acid (chelidamic acid, cdaH3) reacts with MnCl2·2H2O in the presence of 2-amino-4-methylpyrimidine in water to afford the tetranuclear title complex, [Mn4(C8H3NO5)4(H2O)10]·3.34H2O, built through carboxylate bridging. The tetranuclear complex sits on a centre of inversion at (1 \over 2, 1 \over 2, 1 \over 2). In the crystal, discrete undecameric (H2O)10.34water clusters (involving both coordinated and uncoordinated water molecules, with one site of an uncoordinated water molecule not fully occupied) assemble these tetranuclear MnIIcomplex unitsviaan intricate array of hydrogen bonding into an overall three-dimensional network. The degree of structuring of the (H2O)10.34supramolecular association of water molecules observed in the present compound, imposed by its environment andvice versa, will be discussed in comparison to that observed for the (H2O)14supramolecular clusters in the case of the dinuclear complex [Mn2(cdaH)2(H2O)4]·4H2O [Ghoshet al.(2005).Inorg. Chem.44, 3856–3862].

(Acetonitrile-κN)(3-amino-4-methylbenzenesulfonato-κN)aqua(triphenylphosphine-κP)silver(I) hemihydrate

The title compound, [Ag(C7H8NO3S)(C2H3N)(C18H15P)(H2O)]·0.5H2O, has a mononuclear structure in which the AgI ion is four-coordinated by the N atoms from a 3-amino-4-methylbenzenesulfonate anion and an acetonitrile molecule, one P atom from a triphenylphosphine ligand and one O atom from a water molecule, forming a distorted tetrahedral configuration. Molecules are linked into a ribbon-like structure along the a axis by O(water)—H...O hydrogen bonds involving the coordinated water molecule, and N—H...O hydrogen bonds. The uncoordinated water molecule is disordered across an inversion centre.

Poly[[diaqua-μ6-succinato-di-μ5-succinato-diholmium(III)] monohydrate]

The HoIII center in the title coordination polymer, {[Ho2(C4H4O4)3(H2O)2]·H2O} n , is nine-coordinated in a tricapped trigonal prism by eight O atoms, derived from six carboxylate groups and a water molecule. One of the independent succinate anions is located about a crystallographic center of inversion and the uncoordinated water molecule lies on a twofold axis. The crystal structure comprises edge-shared HoO9 polyhedra linked by succinate bridges, forming a three-dimensional network structure.

14-Hydroxy-14-hydroxymethyl-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane hemihydrate

The title compound, C20H34O2·0.5H2O, is a diterpene known as ent-16β-17α-dihydroxykaurane. The cyclohexane rings adopt chair conformations and the cyclopentane ring adopts a half-chair form. The hydroxyl and hydroxymethyl substituents are attached pseudo-axially to the cyclopentane ring. The uncoordinated water molecule participates in intermolecular O—H...O hydrogen bonds, which link the molecules into ribbons extending along the a axis.

Bis(3-ethoxy-4-hydroxybenzaldehyde thiosemicarbazonato-κ2 S,N)nickel(II) monohydrate

In the crystal structure of the title compound, [Ni(C10H12N3O2S)2]·H2O, the NiII atom is located on an inversion center and is chelated by two hydroxyethoxybenzaldehyde thiosemicarbazonate anions in a square-planar geometry. The five-membered chelate ring assumes an envelope conformation, with the Ni atom lying at the flap position. The uncoordinated water molecule is disordered over another inversion center and is hydrogen bonded to the NiII complex.