71 research outputs found
Hexakis(dimethyl sulfoxide-κO)thallium(III) trinitrate
The title compound, [Tl(C2H6OS)6](NO3)3, consists of six dimethyl sulfoxide (DMSO) molecules coordinated to a TlIII atom, which lies on a axis, and three nitrate anions (3. symmetry) to neutralize the charge. The coordination polyhedron around the TlIII atom is octahedral, defined by six O atoms of the DMSO molecules. In the crystal structure, C—H⋯O hydrogen bonds are observed. One of the nitrate groups exhibits half-occupation
Poly[[piperazine-1,4-dium [diaquatetrakis(μ-sulfanediyldiacetato)dicerate(III)]] trihydrate]
The title compound, (C4H12N2)[Ce2(C4H4O4S)4(H2O)2]·3H2O, features a polymeric anion with a centrosymmetric Ce2O2 core and a Ce⋯Ce distance of 4.3625 (4) Å. The anions form ribbons {[Ce2(C4H4O4S)4(H2O)2]2−}n extending along [100]. The doubly protonated piperazinium cations reside on centers of inversion and link the polymeric ribbons via N—H⋯O hydrogen bonding. Each CeIII cation is ten-coordinated by an O2S donor set from two tridentate sulfanediyldiacetate (tda) ligands, one water molecule and three other tda O donors from adjacent {Ce(tda)2(H2O)} units in a distorted bicapped cubic environment. Additional O—H⋯O hydrogen bonding involving the coordinated and solvent water molecules is also present. H atoms of the crystal water molecules could not be located and were not included in the refinement
Propane-1,2-diammonium bis(6-carboxypyridine-2-carboxylate) dihydrate
The reaction of propane-1,2-diamine (pn) and pyridine-2,6-dicarboxylic acid (pydcH2) in a 1:2 molar ratio in aqueous solution resulted in the formation of the title compound, C3H12N2
2+·2C7H4NO4·2H2O or (pnH2)(pydcH)2·2H2O. The structure contains two monoanionic deprotonated forms of pyridine-2,6-dicarboxylic acid molecules (pydcH)−, a diprotonated propane-1,2-diamine (pnH2)2+, and two water molecules. A significant π–π stacking interaction is observed between the pyridyl rings of the (pydcH)− fragments, with a face-to-face distance of 3.6194 (9) Å. In the crystal structure, a wide range of non-covalent interactions consisting of ion pairing, hydrogen bonding [of the types of O—H⋯O, N—H⋯O, N—H⋯N and C—H⋯O, with D⋯A distances in the range 2.454 (2)–3.222 (2)Å] and π–π stacking interactions [centroid–centroid distance = 3.6194 (9) Å] connect the components into a supramolecular structure
Bis(piperazinediium) benzene-1,2,4,5-tetracarboxylate hexahydrate
The title compound, 2C4H12N2
2+·C10H2O8
4−·6H2O or (pipzH2)2(btc)·6H2O, was formed from the reaction between benzene-1,2,4,5-tetracarboxylic acid (btcH4) as a proton donor and piperazine (pipz) as a proton acceptor. A variety of O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds, as well as C—H⋯π interactions, are present in the crystal structure. Two water O atoms are each disordered over two positions; for both the site occupany factors are ca 0.66 and 0.34
Piperazinediium bis(2-carboxypyridine-3-carboxylate)
The asymmetric unit of the title salt, C4H12N2
2+·2C7H4NO4
− or pipzH2
2+·2(py-2,3-dcH−), prepared by a reaction between pyridine-2,3-dicarboxylic acid (py-2,3-dcH2) and piperazine (pipz), contains a monoanion and half of a centrosymmetric dication. The anionic fragment individually has two intramolecular hydrogen bonds, an almost linear O—H⋯O bond between two carboxylate groups and a C—H⋯O bond between the aromatic ring and carboxylate group. Other O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds are responsible for three-dimensional expansion of the structure
catena-Poly[[triaquacadmium(II)]-μ-pyridine-2,3-dicarboxylato-κ3 N,O 2:O 3]
The title polymeric compound, [Cd(C7H3NO4)(H2O)3]n or [Cd(py-2,3-dc)(H2O)3]n, where py-2,3-dcH2 is pyridine-2,3-dicarboxylic acid, was obtained by the reaction of cadmium(II) nitrate hexahydrate with (pipzH2)(py-2,3-dc) as a proton-transfer compound in aqueous solution (pipz is piperazine). The molecular structure shows that only the anionic fragment of the starting proton-transfer compound is present in the complex, while the (pipzH2)2+ dication has been lost. Each (py-2,3-dc)2− ligand bridges two CdII atoms in two different coordination modes, i.e. one end acts as a monodentate and the other end as a bidentate ligand. The three remaining coordination sites on the metal center are occupied by water molecules. The geometric arrangement of the six donor atoms around the CdII atom is distorted octahedral. In the crystal structure, O—H⋯O and C—H⋯O hydrogen bonds play an important role in stabilizing the supramolecular structure
Piperazine-1,4-diium pyridine-2,3-dicarboxylate methanol monosolvate1
The title solvated molecular salt, C4H12N2
2+·C7H3NO4
2−·CH3OH or (pipzH2)(py-2,3-dc)·MeOH, was prepared by the reaction of pyridine-2,3-dicarboxylic acid (py-2,3-dcH2) and piperazine (pipz) in methanol (MeOH) as solvent. One of the two carboxylate groups of the acid fragment is nearly perpendicular to the pyridine ring and the other is almost in its plane [C—C—C—O torsion angles = −85.50 (11) and 88.07 (11)° and N—C—C—O torsion angles = −176.31 (8) and 5.41 (13)°]. In the crystal, the components are linked by O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds, generating a three-dimensional network
Poly[propane-1,3-diammonium [cuprate(II)-bis(μ2-pyridine-2,3-dicarboxylato)] trihydrate]
The title polymeric compound {(C3H12N2)[Cu(C7H3NO4)2]·3H2O}n or {(pnH2)[Cu(py-2,3-dc)2]·3H2O}n (pn is propane-1,3-diamine and py-2,3-dcH2 is pyridine-2,3-dicarboxylic acid), was synthesized by reaction of copper(II) chloride dihydrate with a proton-transfer compound, propane-1,3-diammonium pyridine-2,3-dicarboxylate or (pnH2)(py-2,3-dc), in aqueous solution. The anion is a six-coordinate complex (site symmetry ), with a distorted octahedral geometry around CuII, consisting of two bidentate pyridine-2,3-dicarboxylate groups and two O atoms of bridging ligands from (py-2,3-dc)2− fragments, which are located in trans positions. The (pnH2)2+ cation is disordered over two sites by the center of inversion. Intermolecular hydrogen bonds, π–π [centroid–centroid distances of 3.539 (3) Å] and C—O⋯π stacking interactions [O⋯Cg = 3.240 (5) Å; Cg is the center of the pyridine ring], connect the various components into a supramolecular structure
Poly[tetraaqua-μ3-pyridine-3,5-dicarboxylato-strontium(II)]
The reaction of strontium(II) nitrate with the proton-transfer compound (pdaH2)(py-3,5-dc)·H2O (where pda = propane-1,3-diamine and py-3,5-dcH2 = pyridine-3,5-dicarboxylic acid) leads to the formation of the title polymeric compound, [Sr(C7H3NO4)(H2O)4]n. The propane-1,3-diaminium cation is not incorporated in this crystal structure. The SrII atom lies on an inversion centre and is eight-coordinated by four O atoms from three py-3,5-dc ligands and four O atoms from four coordinated water molecules. The coordination polyhedron of the SrII atom is a distorted dodecahedron. These binuclear units are connected via the carboxylate O atoms to build a one-dimensional polymeric chain. In the crystal structure, non-covalant interactions consisting of hydrogen bonds (X—H⋯O, with X = O and C) and π–π stacking interactions [3.4604 (19) Å] connect the various components to form a supramolecular structure
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