Search results for "Papers"

showing 10 items of 345 documents

cis-Dichloridobis(2-isocyanophenyl 4-methoxybenzoate)palladium(II) chloroform monosolvate

2012

In the title compound, [PdCl2(C15H11NO3)2]·CHCl3, the PdII atom adopts a slightly distorted square-planar coordination geometry composed of two Cl atoms in cis positions and two C atoms from isocyanophenyl ligands. The molecular conformation is stabilized by π–π stacking interactions [shortest centroid–centroid distance = 3.600 (1) Å] between substituted benzene rings of different ligands. The crystal packing is characterized by C—H...O and C—H...Cl interactions involving the chloroform solvent molecules.

Metal-Organic PapersCrystallographyChemistryStackingchemistry.chemical_elementGeneral ChemistryCondensed Matter PhysicsBioinformaticsMedicinal chemistrychloroform solvent moleculesSolventCrystalchemistry.chemical_compoundmolecular conformationQD901-999Atomsingle-crystal X-ray studyGeneral Materials ScienceBenzeneta116crystal packingCoordination geometryPalladiumActa Crystallographica. Section E: Structure Reports Online
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Di-chlorido-[N-(N,N-di-methyl-carbamimido-yl)-N',N',4-tri-methyl-benzohydrazonamide]-platinum(II) nitro-methane hemisolvate.

2014

In the title compound, [PtCl2(C13H21N5)]·0.5CH3NO2, the PtIIatom is coordinated in a slightly distorted square-planar geometry by two Cl atoms and two N atoms of the bidentate ligand. The (1,3,5-triazapentadiene)PtIImetalla ring is slightly bent and does not conjugate with the aromatic ring. In the crystal, N—H...Cl hydrogen bonds link the complex molecules, forming chains along [001]. The nitromethane solvent molecule shows half-occupancy and is disordered over two sets of sites about an inversion centre.

Metal-Organic PapersCrystallographySolvent moleculeNitromethane010405 organic chemistryChemistryHydrogen bondBent molecular geometryGeneral Chemistry010402 general chemistryCondensed Matter PhysicsBioinformaticsRing (chemistry)01 natural sciencesMedicinal chemistry3. Good health0104 chemical sciencesCrystalchemistry.chemical_compoundQD901-999AtomGeneral Materials ScienceConjugateActa crystallographica. Section E, Structure reports online
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Bis(4-aminopyridinium) tetrachloridocobaltate(II)

2009

In the title compound, (C(5)H(7)N(2))(2)[CoCl(4)], the cobalt(II) ion is coordinated by four chloride ions in a slightly distorted tetra-hedral geometry. The crystal packing is stabilized by inter-molecular N-H⋯Cl hydrogen bonding, forming a three-dimensional network. The crystal was a non-merohedral twin emulating tetra-gonal symmetry, but being in fact ortho-rhom-bic.

Metal-Organic PapersCrystallographybiologyChemistryHydrogen bondchemistry.chemical_elementGeneral ChemistryCondensed Matter Physicsbiology.organism_classificationBioinformaticsChlorideIonCrystalCrystallographychemistry.chemical_compoundQD901-999medicineTetraGeneral Materials SciencePyridiniumCobaltmedicine.drugActa Crystallographica Section E Structure Reports Online
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{2-[2,2-Bis(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl- κN)propyl]pyridine}dichloridoiron(II)

2013

The title compound,[FeCl2(C18H25N3O2)], has a distorted tetra-hedral Cl2N2 coordination of the Fe(II) atom as a result of the constraints imposed by the 2-[2,2-bis-(4,4-dimethyl-4,5-di-hydro-1,3-oxazol-2-yl)prop-yl]pyridine ligand. The pyridine ring is almost perpendicular to the six-membered chelated ring containing the metal atom [dihedral angle between their mean planes = 88.5 (1)°].

Metal-Organic PapersGeneral ChemistryDihedral angleCondensed Matter PhysicsRing (chemistry)BioinformaticsMedicinal chemistryPyridine ligandMetalchemistry.chemical_compoundchemistryvisual_artPyridinevisual_art.visual_art_mediumGeneral Materials ScienceChelation
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(μ-Acetato-κ2 O:O′)[μ-2,6-bis­({bis­[(pyri­din-2-yl-κN)meth­yl]amino-κN}meth­yl)-4-methyl­phenolato-κ2 O:O](metha­nol-κO)dizinc bis­(perchlorate)

2014

The binuclear title complex, [Zn2(C33H33N6O)(CH3COO2)(CH3OH)](ClO4)2, was synthesized by the reaction between 2,6-bis({[bis(pyridin-2-yl)methyl]amino}methyl)-4-methylphenol (H-BPMP), Zn(OAc)2and NaClO4. The two ZnIIions are bridged by the phenolate O atom of the octadentate ligand and the acetate group. An additional methanol ligand is terminally coordinated to one of the ZnIIions, rendering the whole structure unsymmetric. Other symmetric dizinc complexes of BPMP have been reported. However, to the best of our knowledge, the present structure, in which the two ZnIIions are distinguishable by the number of coordinating ligands and the coordination geometries (octahedral and square-pyramidal…

Metal-Organic PapersHydrogen bondLigandGeneral ChemistryCondensed Matter PhysicsBioinformaticsMedicinal chemistryIonDicationSolventlcsh:ChemistryPerchloratechemistry.chemical_compoundchemistryOctahedronlcsh:QD1-999General Materials ScienceMethanolActa Crystallographica Section E: Structure Reports Online
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Dipotassium 4,4'-(hexane-3,4-di-yl)bis-(benzene-sulfonate) dihydrate.

2008

The anion of the title compound, also called sygethin dihydrate, 2K(+)·C(18)H(20)O(6)S(2) (2-)·2H(2)O, has crystallographic inversion symmetry. The K(+) cation is surrounded by eight O atoms in a distorted cubic coordination geometry, forming extended K-O-S networks. There are also O-H⋯O hydrogen bonds.

Metal-Organic PapersHydrogen bondPoint reflectionGeneral ChemistryCondensed Matter Physicscomputer.software_genreIonHexanechemistry.chemical_compoundCrystallographychemistryGeneral Materials ScienceData miningBenzene sulfonatecomputerCoordination geometryActa crystallographica. Section E, Structure reports online
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Diammine{N-[2-(hydroxyimino)propionyl]-N′-[2-(oxidoimino)propionyl]propane-1,3-diaminido-κ4N,N′,N′′,N′′′}iron(III)

2012

In the title compound, [Fe(C9H13N4O4)(NH3)2], the Fe(III) atom, lying on a mirror plane, is coordinated by four N atoms of a triply deprotonated tetra-dentate N-[2-(hy-droxy-imino)-propion-yl]-N'-[2-(oxidoimino)-propion-yl]propane-1,3-diaminide ligand in the equatorial plane and two N atoms of two ammonia mol-ecules at the axial positions in a distorted octa-hedral geometry. A short intra-molecular O-H⋯O hydrogen bond between the cis-disposed oxime O atoms stabilizes the pseudo-macrocyclic configuration of the ligand. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds into a three-dimensional network. The ligand has a mirror-plane symmetry. One of the methyl-ene groups of the pro…

Metal-Organic PapersLigandHydrogen bondChemistryGeneral ChemistryCondensed Matter PhysicsBioinformaticsOximeMedicinal chemistryCrystalAmmoniachemistry.chemical_compoundDeprotonationPropaneAtomGeneral Materials Scienceta116Acta Crystallographica Section E Structure Reports Online
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cis,cis,cis-(Acetato-k2O,O´)bis[1,2-bis- (diphenylphosphanyl)ethane-k2P,P´]- ruthenium(II) 0.75-trifluoromethanesulfonate 0.25-chloride

2013

In the title Ru(II) carboxyl-ate compound, [Ru(C2H3O2)(C26H24P2)2](CF3O3S)0.75Cl0.25, the distorted tris-bidentate octa-hedral stereochemistry about the Ru(II) atom in the complex cation comprises four P-atom donors from two 1,2-bis-(diphenyl-phosphan-yl)ethane ligands [Ru-P = 2.2881 (13)-2.3791 (13) Å] and two O-atom donors from the acetate ligand [Ru-O = 2.191 (3) and 2.202 (3) Å]. The disordered counter-anions are located on the same site in the structure in a 3:1 ratio, the expanded formula comprising four complex cations, three trifluoro-methane-sulfonate anions and one chloride anion, with two such formula units in the unit cell.

Metal-Organic PapersLigandchemistry.chemical_elementMethane sulfonateGeneral Chemistry010402 general chemistry010403 inorganic & nuclear chemistryCondensed Matter Physics01 natural sciencesMedicinal chemistryChloride3. Good health0104 chemical sciencesRutheniumchemistrymedicineGeneral Materials Scienceta116medicine.drugActa Crystallographica Section E: Structure Reports Online
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Pyridinium bis(pyridine-κN)tetrakis(thiocyanato-κN)ferrate(III) -pyrazine-2-carbonitrile-pyridine (1/4/1)

2013

In the title compound, (C5H6N)[Fe(NCS)4(C5H5N)2]·4C5H3N3·C5H5N, the Fe(III) ion is located on an inversion centre and is six-coordinated by four N atoms of the thio-cyanate ligands and two pyridine N atoms in a trans arrangement, forming a slightly distorted octa-hedral geometry. A half-occupied H atom attached to a pyridinium cation forms an N-H⋯N hydrogen bond with a centrosymmetrically-related pyridine unit. Four pyrazine-2-carbo-nitrile mol-ecules crystallize per complex anion. In the crystal, π-π stacking inter-actions are present [centroid-centroid distances = 3.6220 (9), 3.6930 (9), 3.5532 (9), 3.5803 (9) and 3.5458 (8) Å].

Metal-Organic PapersPyrazinebiologyNitrileHydrogen bondStackingThio-General ChemistryCondensed Matter PhysicsBioinformaticsbiology.organism_classificationMedicinal chemistrychemistry.chemical_compoundchemistryPyridineTetraGeneral Materials SciencePyridiniumta116Acta Crystallographica Section E : Structure Reports Online
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Poly[[μ-N,N′-bis(2-hydroxyethyl)-N,N,N′,N′-tetramethylpropane-1,3-diaminium-κ2O:O′]tetra-μ-bromido-dibromidodimanganese(II)]

2012

The asymmetric unit of the title three-dimensional coordination polymer, [Mn2Br6(C11H28N2O2)] n , consists of one Mn(II) cation, half of a dicationic N,N'-bis-(2-hy-droxy-eth-yl)-N,N,N',N'-tetra-methyl-propane-1,3-diaminium ligand (L) (the other half being generated by a twofold rotation axis), and three bromide ions. The Mn(II) cation is coordinated by a single L ligand via the hy-droxy O atom and by five bromide ions, resulting in a distorted octa-hedral MnBr5O coordination geometry. Four of the bromide ions are bridging to two adjacent Mn(II) atoms, thereby forming polymeric chains along the a and b axes. The L units act as links between neighbouring Mn-(μ-Br)2-Mn chains, also forming a …

Metal-Organic PapersbiologyCoordination polymerHydrogen bondGeneral ChemistryCondensed Matter Physicsbiology.organism_classificationBioinformaticschemistry.chemical_compoundCrystallographychemistryPropaneAtomTetraGeneral Materials Scienceta116Coordination geometryBromide ionsActa Crystallographica Section E Structure Reports Online
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