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showing 10 items of 13601 documents

Crystal structures of three mercury(II) complexes [HgCl2L] where L is a bidentate chiral imine ligand

2015

Three complexes synthesized by coordination of chiral imines to HgCl2 have been characterized, in which the tetra­hedral HgII centre has a geometry strongly distorted towards the disphenoidal geometry.

crystal structureSchiff baseDenticitymercuryStereochemistryIminechemistry.chemical_elementGeneral ChemistryCrystal structureLarge rangeBite angleCondensed Matter PhysicsResearch CommunicationsMercury (element)lcsh:Chemistrychemistry.chemical_compoundCrystallographySchiff basechemistrylcsh:QD1-999General Materials Sciencedisphenoidal geometryCoordination geometryActa Crystallographica Section E: Crystallographic Communications
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The methanol sesquisolvate of sodium naproxen

2018

A new solvatomorph of sodium naproxen with methanol as solvent is reported. The asymmetric unit comprises two formula units of sodium naproxen and three methanol mol­ecules.

crystal structureSodiumCoordination numbermethanol solvatechemistry.chemical_elementSalt (chemistry)Crystal structureNaproxen Sodium010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencessolvatomorphismResearch Communicationslcsh:Chemistrychemistry.chemical_compoundnaproxenGeneral Materials Sciencechemistry.chemical_classificationHydrogen bondGeneral ChemistrydisorderCondensed Matter PhysicsAcceptor0104 chemical sciencesCrystallographychemistrylcsh:QD1-999MethanolActa Crystallographica Section E: Crystallographic Communications
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Three phenanthroline-metal complexes with topologically similar but geometrically different conformations.

2016

Two out of the three very similar complexes described present twofold symmetry but not the third one, probably by way of a strong intra­molecular C—H⋯O hydrogen bond disrupting the symmetry, a fact which is analysed in detail.

crystal structureStereochemistryPhenanthrolinechemistry.chemical_elementZincCrystal structureQuímica Inorgánica y Nuclear010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesstrong C—H⋯O intra­molecular hydrogen bondsCRYSTAL STRUCTUREResearch Communicationslcsh:ChemistryMetalBase (group theory)//purl.org/becyt/ford/1 [https]chemistry.chemical_compoundGroup (periodic table)strong C—H...O intramolecular hydrogen bondsCd and Zn complexesPEROXODISULFATE ANION//purl.org/becyt/ford/1.4 [https]General Materials ScienceSTRONG C - H⋯O INTRAMOLECULAR HYDROGEN BONDSCadmiumHydrogen bondCiencias QuímicasGeneral ChemistryCondensed Matter Physicsperoxodisulfate anion0104 chemical sciencesCrystallographylcsh:QD1-999chemistryvisual_artvisual_art.visual_art_mediumperoxodi­sulfate anionCD AND ZN COMPLEXESCIENCIAS NATURALES Y EXACTASActa crystallographica. Section E, Crystallographic communications
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Synthesis, characterization and self-assembly of three dicyanamide bridged polynuclear copper(II) complexes with N2O donor tridentate Schiff bases as…

2016

Three copper(II) complexes [Cu(L1)(μ1,5-dca)]n (1), [Cu(L2)(μ1,5-dca)]n (2) and [Cu(L3)(μ1,5-dca)]n (3) [where HL1 = (1-(2-(dimethylamino)ethylimino)ethyl) naphthalene-1-ol, HL2 = (1-(2-(methylamino)ethylimino)ethyl) naphthalene-1-ol and HL3 = (1-(2-(ethylamino)ethylimino)ethyl)naphthalene-1-ol] have been synthesized and characterized by elemental analysis, IR and UV–Vis spectroscopy. The structure of each complex has been confirmed by single-crystal X-ray diffraction studies. In all three complexes, copper(II) centres are bridged by dicyanamide in end to end fashion. Complexes 1 and 2 are zigzag polymers, whereas complex 3 is a helical one. The weak forces like C–H⋯π and π⋯π interactions i…

crystal structureStereochemistrychemistry.chemical_elementCrystal structure010402 general chemistry01 natural sciencesInorganic Chemistrychemistry.chemical_compoundpolynuclearMaterials ChemistryPhysical and Theoretical ChemistrySpectroscopyta116DicyanamidedicyanamideSchiff base010405 organic chemistryChemistryschiff baseCopper0104 chemical sciencesMolecular networkCrystallographySelf-assemblycopper(II)Polyhedron
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Crystal structure of thecisandtranspolymorphs of bis[μ-2-(1,3-benzothiazol-2-yl)phenolato]-κ3N,O:O;κ3O:N,O-bis[fac-tricarbonylrhenium(I)]

2017

The title dinuclear complex, [Re2(C13H8NOS)2(CO)6], crystallizes in two polymorphs where the 2-(1,3-benzothiazol-2-yl)phenolate ligands and two carbonyl groups aretrans- (I) orcis-arranged (II) with respect to the [Re2O2(CO)4] core. PolymorphsIandIIexhibit a crystallographically imposed centre of symmetry and a twofold rotation axis, respectively. The structures may be described as being formed by two octahedrally distorted metal-coordinating units fused through μ-oxido bridges, leading to edge-sharing dimers. The crystal packing is governed by C—H...O hydrogen-bonding interactions, forming chains parallel to thecaxis inIand a three-dimensional network inII.

crystal structureStereochemistrychemistry.chemical_elementGeneral ChemistryCrystal structureRhenium010402 general chemistry010403 inorganic & nuclear chemistryCondensed Matter Physics01 natural sciencespolymorphism0104 chemical sciencesrhenium tricarbonyl complexeslcsh:ChemistryCrystallographylcsh:QD1-999Polymorphism (materials science)chemistryGeneral Materials ScienceCis–trans isomerismActa Crystallographica Section E Crystallographic Communications
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Crystal structure of bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ2N2,N3]bis(thiocyanato-κS)copper(II)

2016

The structure of the title compound is similar to that of the related complexes [Co(C12H8N4S)2(N3)2] and [Ni(C12H8N4S)2(N3)2] in which the azide ion is substituted by the thio­cyanate group. The CuN4S2 octa­hedron is more distorted than the CoN6 and NiN6 octa­hedra.

crystal structureStereochemistrychemistry.chemical_elementThio-Crystal structure010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesChlorideResearch CommunicationsMetalchemistry.chemical_compoundmedicine25-bis(pyridin-2-yl)-134-thiadiazoleGeneral Materials Sciencecopper complexCoordination geometrythio­cyanate ligandCrystallographyHydrogen bondGeneral Chemistrythiocyanate ligandCondensed Matter PhysicsCopper0104 chemical sciencesCrystallographychemistryQD901-999visual_artvisual_art.visual_art_mediumDiazole25-bis­(pyridin-2-yl)-134-thia­diazolemedicine.drugActa Crystallographica Section E Crystallographic Communications
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Crystal structure of a rare trigonal bipyramidal titanium(IV) coordination complex: trichlorido(3,3′-di-tert-butyl-2′-hydroxy-5,5′,6,6′-tetramethyl-1…

2017

The title compound, [Ti(C24H33O2)Cl3(C4H8O)], is a rare example of a trigonal–bipyramidal titanium coordination complex with three chloride and two oxygen donor ligands. The asymmetric unit contains two independent molecules having essentially the same conformation. The molecules feature the titanium(IV) metal cation complexed with three chloride ligands, a tetrahydrofuran molecule, and one oxygen atom from the resolved ligand precursor (R)-(+)-5,5′,6,6′-tetramethyl-3,3′-di-t-butyl-1,1′-biphenyl-2,2′-diol, where the remaining phenolic hydrogen atom engages in intermolecular O—H...Cl hydrogen bonding. In one molecule, the THF ligand is disordered over two orientations with refined site occup…

crystal structureStereochemistrytitanium in trigonal–bipyramidal coordinationchemistry.chemical_elementcoordination complexCrystal structure010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesMedicinal chemistryCoordination complexchemistry.chemical_compoundFuranGeneral Materials Sciencechemistry.chemical_classificationCrystallographybiologyHydrogen bondLigandGeneral ChemistryCondensed Matter Physicsbiology.organism_classification0104 chemical sciencesTrigonal bipyramidal molecular geometrychemistryQD901-999TetraTitaniumActa Crystallographica Section E: Crystallographic Communications
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Crystal structure of a mixed-valence μ-oxide Sn12 cluster

2014

The mixed-valence μ-oxide Sn12cluster, decacarbonyltetra-μ4-oxido-hexa-μ3-oxido-tetrakis[μ-2,2′-(pyridine-2,6-diyl)bis(1,1-diphenylethanolato)]decatin(II)ditin(IV)dimolybdenum(O)(2Mo—Sn) toluene heptasolvate, [Mo2Sn12(C33H27NO2)4O10(CO)10]·7C7H8, has a crystallographically imposed inversion centre. The asymmetric unit also contains three and a half toluene solvent molecules, one of which is disordered about a centre of symmetry. The complex molecule comprises six distinct Sn atom species with four different coordination numbers, namely 3, 4, 5, and 6. The SnIIatoms forming the central Sn10O10core adopt distorted trigonal–pyramidal, square-pyramidal and octahedral coordination geometries pro…

crystal structureValence (chemistry)CrystallographyHydrogen bondLigandCoordination numberOxidecarbonylschemistry.chemical_elementGeneral ChemistryCrystal structureCondensed Matter PhysicsBioinformaticsS12 clusterData Reportschemistry.chemical_compoundCrystallographychemistrystannylenesQD901-999AtomGeneral Materials ScienceTinActa Crystallographica Section E
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Selective formation of a unique diphosphonium-diphosphine from a tetraphosphine double protonation induced by zirconium salts

2008

A mixed ferrocenyl diphosphonium-diphosphine cation, associated with two [ZrCl(5).thf](-) anions, is obtained from a ferrocenyl tetraphosphine, as a unique didentate ionic metalloligand in a perfectly selective reaction induced by ZrCl(4) in THF.

crystal structureZirconiumSelective reaction010405 organic chemistryChemistryprotonationInorganic chemistry[ CHIM.COOR ] Chemical Sciences/Coordination chemistryzirconiumIonic bondingchemistry.chemical_elementProtonationphosphonium010402 general chemistry01 natural sciencesferrocenyl0104 chemical sciences3. Good healthInorganic ChemistryPolymer chemistrypolyphosphine[CHIM.COOR]Chemical Sciences/Coordination chemistryComputingMilieux_MISCELLANEOUSDalton Transactions
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Crystal structure of allyl­ammonium hydrogen succinate at 100 K

2014

The asymmetric unit of the title compound, C2H8N+·C4H5O4−, consists of two allylammonium cations and two hydrogen succinate anions (Z′ = 2). One of the cations has a near-perfectsyn-periplanar (cis) conformation with an N—C—C—C torsion angle of 0.4 (3)°, while the other is characterized by agaucheconformation and a torsion angle of 102.5 (3)°. Regarding the anions, three out of four carboxilic groups are twisted with respect to the central C–CH2–CH2–C group [dihedral angles = 24.4 (2), 31.2 (2) and 40.4 (2)°], the remaining one being instead almost coplanar, with a dihedral angle of 4.0 (2)°. In the crystal, there are two very short, near linear O—H...O hydrogen bonds between anions, with t…

crystal structureallylammoniumHydrogenHydrogen bondchemistry.chemical_elementGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicssuccinateData Reportslcsh:ChemistryCrystalchemistry.chemical_compoundCrystallographylcsh:QD1-999chemistryallyl­ammoniumGroup (periodic table)hydrogen bondsGeneral Materials ScienceAmmoniumActa Crystallographica Section E: Structure Reports Online
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