Low‐dimensional compounds containing bioactive ligands. IV. Unusual ionic forms of 5‐chloroquinolin‐8‐ol
Identifieur interne : 000B17 ( Main/Exploration ); précédent : 000B16; suivant : 000B18Low‐dimensional compounds containing bioactive ligands. IV. Unusual ionic forms of 5‐chloroquinolin‐8‐ol
Auteurs : Peter Vranec [Slovaquie] ; Ivan Poto K [Slovaquie] ; Peter Repovsk [Slovaquie]Source :
- Acta Crystallographica Section C [ 0108-2701 ] ; 2012-12-15.
English descriptors
- Teeft :
- Absorption correction, Acta, Acta cryst, Analytical numeric absorption correction, Anion, Arbitrary radii, Aromatic rings, Atom site location, Atomic displacement parameters, Bond lengths, Cation, Cell parameters, Chem, Chloride anion, Chloride ligands, Clark reid, Compounds figure, Crysalis, Cryst, Crystal data, Crystal symmetry, Data collection oxford diffraction xcalibur, Difference fourier, Diffractometer, Diffractometer radiation source, Dihedral angle, Direct methods acta cryst, Displacement ellipsoids, Displacement parameters, Ethanolic solution, Full covariance matrix, Geometric parameters, Hall symbol, Hclq, Hydrochloride acid, Hydrogen bonds, Hydrogen site location, Independent reflections, Ligand, Matrix, Mmol, Multifaceted crystal model, Neighbouring sites, Other hand, Oxford diffraction, Pdcl2, Pdii, Pdii atom, Pdii atoms, Pdii complexes, Phenol rings, Pixels scans absorption correction, Potocnak, Potocnak vranec, Probability level, Refinement refinement, Rint, Room temperature, Secondary atom site location, Small spheres, Supplementary materials, Symmetry code, Symmetry codes, Symmetryindependent hydrogen bond, Threshold expression, Tmax, Tmin, Tmin tmax, Torsion angles, Tube graphite monochromator detector resolution, Vranec, Water solution, Xcalibur.
Abstract
Bis(5‐chloro‐8‐hydroxyquinolinium) tetrachloridopalladate(II), (C9H7ClNO)2[PdCl4], (I), catena‐poly[dimethylammonium [[dichloridopalladate(II)]‐μ‐chlorido]], {(C2H8N)[PdCl3]}n, (II), ethylenediammonium bis(5‐chloroquinolin‐8‐olate), C2H10N22+·2C9H5ClNO−, (III), and 5‐chloro‐8‐hydroxyquinolinium chloride, C9H7ClNO+·Cl−, (IV), were synthesized with the aim of preparing biologically active complexes of PdII and NiII with 5‐chloroquinolin‐8‐ol (ClQ). Compounds (I) and (II) contain PdII atoms which are coordinated in a square‐planar manner by four chloride ligands. In the structure of (I), there is an isolated [PdCl4]2− anion, while in the structure of (II) the anion consists of PdII atoms, lying on centres of inversion, bonded to a combination of two terminal and two bridging Cl− ligands, lying on twofold rotation axes, forming an infinite [–μ2‐Cl–PdCl2–]n chain. The negative charges of these anions are balanced by two crystallographically independent protonated HClQ+ cations in (I) and by dimethylammonium cations in (II), with the N atoms lying on twofold rotation axes. The structure of (III) consists of ClQ− anions, with the hydroxy groups deprotonated, and centrosymmetric ethylenediammonium cations. On the other hand, the structure of (IV) consists of a protonated HClQ+ cation with the positive charge balanced by a chloride anion. All four structures are stabilized by systems of hydrogen bonds which occur between the anions and cations. π–π interactions were observed between the HClQ+ cations in the structures of (I) and (IV).
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DOI: 10.1107/S0108270112047452
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Unusual ionic forms of 5‐chloroquinolin‐8‐ol</title><author><name sortKey="Vranec, Peter" sort="Vranec, Peter" uniqKey="Vranec P" first="Peter" last="Vranec">Peter Vranec</name></author><author><name sortKey="Poto K, Ivan" sort="Poto K, Ivan" uniqKey="Poto K I" first="Ivan" last="Poto K">Ivan Poto K</name></author><author><name sortKey="Repovsk, Peter" sort="Repovsk, Peter" uniqKey="Repovsk P" first="Peter" last="Repovsk">Peter Repovsk</name></author></titleStmt><publicationStmt><idno type="wicri:source">ISTEX</idno><idno type="RBID">ISTEX:29CEB6F98D8CD2300C2BB23C17DE48B4D1FAB4D9</idno><date when="2012" year="2012">2012</date><idno type="doi">10.1107/S0108270112047452</idno><idno type="url">https://api.istex.fr/ark:/67375/WNG-1H0MQWRD-G/fulltext.pdf</idno><idno type="wicri:Area/Istex/Corpus">000164</idno><idno type="wicri:explorRef" wicri:stream="Istex" wicri:step="Corpus" wicri:corpus="ISTEX">000164</idno><idno type="wicri:Area/Istex/Curation">000164</idno><idno type="wicri:Area/Istex/Checkpoint">000094</idno><idno type="wicri:explorRef" wicri:stream="Istex" wicri:step="Checkpoint">000094</idno><idno type="wicri:doubleKey">0108-2701:2012:Vranec P:low:dimensional:compounds</idno><idno type="wicri:Area/Main/Merge">000B20</idno><idno type="wicri:Area/Main/Curation">000B17</idno><idno type="wicri:Area/Main/Exploration">000B17</idno></publicationStmt><sourceDesc><biblStruct><analytic><title level="a" type="main">Low‐dimensional compounds containing bioactive ligands. IV. Unusual ionic forms of 5‐chloroquinolin‐8‐ol</title><author><name sortKey="Vranec, Peter" sort="Vranec, Peter" uniqKey="Vranec P" first="Peter" last="Vranec">Peter Vranec</name><affiliation wicri:level="1"><country xml:lang="fr">Slovaquie</country><wicri:regionArea>Department of Inorganic Chemistry, Faculty of Science, P.J. Šafárik University, Moyzesova 11, SK‐041 54 Košice</wicri:regionArea><wicri:noRegion>SK‐041 54 Košice</wicri:noRegion></affiliation></author><author><name sortKey="Poto K, Ivan" sort="Poto K, Ivan" uniqKey="Poto K I" first="Ivan" last="Poto K">Ivan Poto K</name><affiliation wicri:level="1"><country xml:lang="fr">Slovaquie</country><wicri:regionArea>Department of Inorganic Chemistry, Faculty of Science, P.J. Šafárik University, Moyzesova 11, SK‐041 54 Košice</wicri:regionArea><wicri:noRegion>SK‐041 54 Košice</wicri:noRegion></affiliation></author><author><name sortKey="Repovsk, Peter" sort="Repovsk, Peter" uniqKey="Repovsk P" first="Peter" last="Repovsk">Peter Repovsk</name><affiliation wicri:level="1"><country xml:lang="fr">Slovaquie</country><wicri:regionArea>Department of Inorganic Chemistry, Faculty of Science, P.J. Šafárik University, Moyzesova 11, SK‐041 54 Košice</wicri:regionArea><wicri:noRegion>SK‐041 54 Košice</wicri:noRegion></affiliation></author></analytic><monogr></monogr><series><title level="j" type="main">Acta Crystallographica Section C</title><title level="j" type="alt">ACTA CRYSTALLOGRAPHICA C</title><idno type="ISSN">0108-2701</idno><idno type="eISSN">1600-5759</idno><imprint><biblScope unit="vol">68</biblScope><biblScope unit="issue">12</biblScope><biblScope unit="page" from="m370">m370</biblScope><biblScope unit="page" to="m376">m376</biblScope><publisher>International Union of Crystallography</publisher><pubPlace>5 Abbey Square, Chester, Cheshire CH1 2HU, England</pubPlace><date type="published" when="2012-12-15">2012-12-15</date></imprint><idno type="ISSN">0108-2701</idno></series></biblStruct></sourceDesc><seriesStmt><idno type="ISSN">0108-2701</idno></seriesStmt></fileDesc><profileDesc><textClass><keywords scheme="Teeft" xml:lang="en"><term>Absorption correction</term><term>Acta</term><term>Acta cryst</term><term>Analytical numeric absorption correction</term><term>Anion</term><term>Arbitrary radii</term><term>Aromatic rings</term><term>Atom site location</term><term>Atomic displacement parameters</term><term>Bond lengths</term><term>Cation</term><term>Cell parameters</term><term>Chem</term><term>Chloride anion</term><term>Chloride ligands</term><term>Clark reid</term><term>Compounds figure</term><term>Crysalis</term><term>Cryst</term><term>Crystal data</term><term>Crystal symmetry</term><term>Data collection oxford diffraction xcalibur</term><term>Difference fourier</term><term>Diffractometer</term><term>Diffractometer radiation source</term><term>Dihedral angle</term><term>Direct methods acta cryst</term><term>Displacement ellipsoids</term><term>Displacement parameters</term><term>Ethanolic solution</term><term>Full covariance matrix</term><term>Geometric parameters</term><term>Hall symbol</term><term>Hclq</term><term>Hydrochloride acid</term><term>Hydrogen bonds</term><term>Hydrogen site location</term><term>Independent reflections</term><term>Ligand</term><term>Matrix</term><term>Mmol</term><term>Multifaceted crystal model</term><term>Neighbouring sites</term><term>Other hand</term><term>Oxford diffraction</term><term>Pdcl2</term><term>Pdii</term><term>Pdii atom</term><term>Pdii atoms</term><term>Pdii complexes</term><term>Phenol rings</term><term>Pixels scans absorption correction</term><term>Potocnak</term><term>Potocnak vranec</term><term>Probability level</term><term>Refinement refinement</term><term>Rint</term><term>Room temperature</term><term>Secondary atom site location</term><term>Small spheres</term><term>Supplementary materials</term><term>Symmetry code</term><term>Symmetry codes</term><term>Symmetryindependent hydrogen bond</term><term>Threshold expression</term><term>Tmax</term><term>Tmin</term><term>Tmin tmax</term><term>Torsion angles</term><term>Tube graphite monochromator detector resolution</term><term>Vranec</term><term>Water solution</term><term>Xcalibur</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">Bis(5‐chloro‐8‐hydroxyquinolinium) tetrachloridopalladate(II), (C9H7ClNO)2[PdCl4], (I), catena‐poly[dimethylammonium [[dichloridopalladate(II)]‐μ‐chlorido]], {(C2H8N)[PdCl3]}n, (II), ethylenediammonium bis(5‐chloroquinolin‐8‐olate), C2H10N22+·2C9H5ClNO−, (III), and 5‐chloro‐8‐hydroxyquinolinium chloride, C9H7ClNO+·Cl−, (IV), were synthesized with the aim of preparing biologically active complexes of PdII and NiII with 5‐chloroquinolin‐8‐ol (ClQ). Compounds (I) and (II) contain PdII atoms which are coordinated in a square‐planar manner by four chloride ligands. In the structure of (I), there is an isolated [PdCl4]2− anion, while in the structure of (II) the anion consists of PdII atoms, lying on centres of inversion, bonded to a combination of two terminal and two bridging Cl− ligands, lying on twofold rotation axes, forming an infinite [–μ2‐Cl–PdCl2–]n chain. The negative charges of these anions are balanced by two crystallographically independent protonated HClQ+ cations in (I) and by dimethylammonium cations in (II), with the N atoms lying on twofold rotation axes. The structure of (III) consists of ClQ− anions, with the hydroxy groups deprotonated, and centrosymmetric ethylenediammonium cations. On the other hand, the structure of (IV) consists of a protonated HClQ+ cation with the positive charge balanced by a chloride anion. All four structures are stabilized by systems of hydrogen bonds which occur between the anions and cations. π–π interactions were observed between the HClQ+ cations in the structures of (I) and (IV).</div></front></TEI><affiliations><list><country><li>Slovaquie</li></country></list><tree><country name="Slovaquie"><noRegion><name sortKey="Vranec, Peter" sort="Vranec, Peter" uniqKey="Vranec P" first="Peter" last="Vranec">Peter Vranec</name></noRegion><name sortKey="Poto K, Ivan" sort="Poto K, Ivan" uniqKey="Poto K I" first="Ivan" last="Poto K">Ivan Poto K</name><name sortKey="Repovsk, Peter" sort="Repovsk, Peter" uniqKey="Repovsk P" first="Peter" last="Repovsk">Peter Repovsk</name></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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