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May 2015 issue
research communications
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In Na9Cr(MoO4)6 the basic structure units are isolated polyhedral clusters composed of a central CrO6 octahedron sharing vertices with six MoO4 to form an open (0D) framework in which the Na+ cations are oriented at the free vertices of the MoO4 tetrahedra.
CCDC reference: 1055835
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The synthesis and crystal structure of a ZnII complex with a (3,4-dihydronaphthalen-1(2H-ylidene)-N-phenyl-carbamohydrazinothioate ligand is reported. The crystal structure shows DMSO molecules bridging the complex units, building an one-dimensional H-bonded polymer.
CCDC reference: 1056177
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In the first reported crystal structure of the family of lithium phosphate diesters, the Li atom is in a slightly distorted tetrahedral coordination environment and exhibits one intramolecular O—H⋯O hydrogen bond between a coordinating methanol molecule and the terminal non-coordinating O atom of the phosphate group. The unit is connected with two non-coordinating methanol molecules through two intermolecular O—H⋯O hydrogen bonds and with a neighbouring unit through two other O—H⋯O interactions.
CCDC reference: 1054771
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8-(Diphenylphosphanyl)quinoline (Ph2Pqn) acts as an asymmetric bidentate ligand to form a planar five-membered chelate ring in the dichloridopalladium(II) and -platinum(II) complexes, (SP-4)-[MCl2(Ph2Pqn)] (M = Pd or Pt), as well as in the dichloridorhodium(III) complex, (OC-6-32)-[RhCl2(Ph2Pqn)2]PF6.
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Crystal structure of bis(azido-κN)bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ2N2,N3]cobalt(II)
The structure of the title compound is isotypic with that of the analogous nickel(II) complex, in which the CoN6 core shows an axially weakly compressed octahedral geometry as opposed to the almost regular geometry exhibited by the NiN6 octahedron.
CCDC reference: 1057234
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NaRb2(NO3)3 nitrate is the only intermediate compound in the system NaNO3 + RbNO3. It has, according to a thermal study, three allotropic forms. The structure of the low-temperature form is presented.
CCDC reference: 1004334
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In a Ba coordination polymer incorporating 4-nitro-2,5,6-trioxo-1,2,5,6-tetrahydropyridin-3-olate, oxalate and aqua ligands, the complex monomers are connected into polymeric two-dimensional layers parallel to the bc plane. Intermolecular O—H⋯O hydrogen bonds link these layers into a three-dimensional supramolecular framework.
CCDC reference: 1057170
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The first crystal structure determination of a 1:2 co-crystalline adduct of 1,3,6,8-tetraazatricyclo[4.4.1.13,8]dodecane is presented. In the crystal, adducts are linked by C—H⋯O and C—H⋯Br hydrogen bonds, forming a two-dimensional network.
CCDC reference: 1057775
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In the title three compounds, the ring conformations of tetracycles are similar; each tetracycle adopts essentially planar, chair, half-chair and chair–chair forms. In the crystals, molecules are linked into similar chains by intermolecular hydrogen bonds.
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The title salt consists of a dimethylammonium cation (Me2NH2+), an hydrogenoxalate anion (HC2O4−), and half a molecule of oxalic acid (H2C2O4) situated about an inversion center. They are linked together through intermolecular hydrogen bonds, forming a two-dimensional bilayer-like self-assembly.
CCDC reference: 1055825
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In the crystal of the title salt, the 2,6-diamino-4-oxo-1,3-dihydropyrimidin-1-ium cations and the p-toluenesulfonate anions are linked by a series of N—H⋯O hydrogen bonds, forming tunnel-like polymer chains propagating along [010].
CCDC reference: 1057933
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The asymmetric unit of the title zinc(II) coordination polymer contains two 4-nitrobenzoate (NB) anions and two nicotinamide (NA) ligands. Only one of the two NB anions and one of the two NA ligands bridge adjacent ZnII ions through eight- and 12-membered rings, respectively, forming polymeric chains running along the a-axis direction.
CCDC reference: 1057121
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The title compound shows two packing polymorphs, in which the molecular structures are planar and essentially similar. One crystal shows intermolecular C—H⋯O and π–π interactions, while the other crystal exhibits several modes of intermolecular C—H⋯O interactions.
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The title compound crystallizes in the keto form and the carbonyl O atom forms an intramolecular N—H⋯O hydrogen bond with the neighbouring NH group. In the crystal, molecules are linked by pairs of N—H⋯O hydrogen bonds to form inversion dimers, which are linked via pairs of C—H⋯O hydrogen bonds, forming chains propagating along [100].
CCDC reference: 1056718
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In the title compound, the ring conformations of the tetracycle are twist, chair, half-chair and chair–boat forms. In the crystal, intermolecular C—H⋯O and C—H⋯π interactions link molecules to construct a three-dimensional architecture.
CCDC reference: 1058739
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The crystal structure of calcium levulinate dihydrate forms a one-dimensional coordination polymer based on a CaO8 complex unit which lies on a twofold rotation axis. This unit comprises two monodentate water O-atom donors and six carboxylate O-atom donors, two of which are also bridging, from the two bidentate chelate levulinate ligands. The complex chains are stabilized by intra- and intermolecular water O—H⋯O hydrogen bonds, forming an overall three-dimensional structure.
CCDC reference: 1057749
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In a novel one-dimensional hybrid compound, the inorganic part contains zigzag chains formed by corner-sharing [SbCl6]3− octahedra. 1,4-Diazoniabicyclo[2.2.2]octane dications cations are lodged around the anionic framework. Water molecules play an important role in the structure connectivity.
CCDC reference: 943047
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The high-pressure phase of SrGeO3 synthesized at 6 GPa and 1223 K adopts the ideal cubic perovskite-type structure. The Ge—O bond is largely covalent, which influences the thermal vibration behavior of the O atom.
CCDC reference: 1059192
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The crystal structure and supramolecular features of 5-{3-[2,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl}-N-(11-hydroxyundecyl)isoxazole-3-carboxamide hemihydrate, a derivative of antiviral `WIN compounds', are reported.
CCDC reference: 1059505
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In each of the title compounds, the anion shows evidence of extensive electronic delocalization. A combination of N—H⋯N and X—H⋯N hydrogen bonds links the ions in (I) into a ribbon of alternating centrosymmetric (18) and (26) rings, and those in (II) into simple (7) chains of alternating cations and anion with further cations pendent from the chain.
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The title compound is the first reported characterized 2:2 product from acid-catalyzed condensation of indole with cyclopentanone. In the crystal, molecules are connected by a series of N—H⋯π and C—H⋯π interactions, forming slabs parallel to (010).
CCDC reference: 1059822
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N—H⋯O, N—H⋯Cl and O—H⋯O hydrogen bonds between cations and anions in the complex salt (C4H7N2)+[Sn(H2O)Cl3(C2O4)]− are responsible for the formation of a three-dimensional network structure.
CCDC reference: 1056053
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The title compounds were synthesized via an Arbuzov reaction between an α-bromoketone and isopropoxydiphenylphosphane. In the crystals of both compounds, molecules are linked via bifurcated C—H⋯(O,O) hydrogen bonds, forming chains propagating along [100] and along [010].
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While attempting to synthesize a cyclopentadienyl iridium complex by the reaction between IrCl3·xH2O in methanol, several well-shaped crystals formed from the reaction mixture. Surprisingly, the crystals were of di-μ-chlorido-bis[dichloridobis(methanol-κO)iridium(III)] dihydrate, [Ir2Cl6(CH3OH)4]·2H2O. This is a surprising result in that, while many reactions of iridium chloride hydrate are carried out in alcoholic solvents, especially methanol and ethanol, this is the first structure of a chlorido-iridium compound with only methanol ligands.
CCDC reference: 1057748
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Centrosymmetric dimers with a central (8) ring motif are formed as a result of (carboxyl)O—H⋯O(carboxyl) hydrogen bonds. In addition, there is an intramolecular (hydroxyl)O—H⋯O(carboxyl) hydrogen-bonding interaction.
CCDC reference: 1059331
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The solid-state structure of a disubstituted ferrocene with electrochemically active pendant groups has been determined. This is a potential chemotherapeutic drug.
CCDC reference: 1054149
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The CrIII atoms in the title compound show a distorted octahedral coordination with four N atoms of the cyclam ligand in the equatorial plane and two N-coordinated NCS− groups in axial positions. The macrocyclic ligands adopt trans-III configurations. The crystal packing is stabilized by N—H⋯S and N—H⋯Cl hydrogen bonds.
CCDC reference: 1059896
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In the title compound, the silver atom is coordinated by two 1,3-bis(2,6-dimethylphenyl)imidazol-2-ylidene ligands, with the imidazole rings inclined to one another by 46.69 (13)°. In the crystal, molecules are linked by trifurcated C—H⋯(Cl,Cl,Cl) hydrogen bonds, forming two-dimensional networks parallel to (010).
CCDC reference: 1060013
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N-(Substituted phenyl)-4-oxo-4H-chromene-3-carboxamides have very similar conformations but show different inhibition activities against h-MAO-B so it may be assumed that the electronic environment provided by the substituents on the phenyl ring is the primary condition for the pharmacological activities displayed by these molecules.
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In the structure of bis(2-amino-5-chloropyridinium) tetrachloridocobaltate(II), the essentially planar cations are connected through N—H⋯Cl hydrogen bonds to the tetrahedral anion.
CCDC reference: 990478
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The transition metal orthophosphates Na2M2Fe(PO4)3 (M = Co, Ni) crystallize in an alluaudite-type structure. The chains characterizing the alluaudite structure are then built up from [M2O10] units alternating with [FeO6] octahedra.
CCDC reference: 1060932
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In the title complex, the CoII atom is located on an inversion centre and is coordinated by two 4-cyanobenzoate (CNB) anions, two nicotinamide (NA) ligands and two water molecules. The four O atoms in the equatorial plane form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination sphere is completed by the two N atoms of the NA ligands in the axial positions.
CCDC reference: 1061935
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The zwitterionic title compound shows a major disorder of the triisopropylphenyl group over two equally occupied locations. An interesting feature is the uncommon hydrate structure, exhibiting a tape-like motif which can be classified as a transition of the one-dimensional T4(2)6(2) motif into the two-dimensional L4(6)5(7)6(8) motif.
CCDC reference: 1061352
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The crystal structure and supramolecular features of 3-chloro-2-(4-methylphenyl)-2H-pyrazolo[3,4-b]quinoline are reported.
CCDC reference: 1012361
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