CobaltMaghrebV1, France, Analysis, bibRecord, 000052

Intra- and supramolecular interactions in cis,mer-diaquatris(1H-imidazole-κN3)(terephthalato-κO)cobalt(II) monohydrate

Identifieur interne : 000052 ( France/Analysis ); précédent : 000051; suivant : 000053

Intra- and supramolecular interactions in cis,mer-diaquatris(1H-imidazole-κN3)(terephthalato-κO)cobalt(II) monohydrate

Auteurs : Aouaouche Benkanoun [Algérie] ; Fadila Balegroune [Algérie] ; Achoura Guehria-Laïdoudi [Algérie] ; Slimane Dahaoui [France] ; Claude Lecomte [France]

Source :

Acta Crystallographica Section E: Structure Reports Online [ 1600-5368 ] ; 2012.

RBID : PMC:3343867

Abstract

In the title compound, [Co(C₈H₄O₄)(C₃H₄N₂)₃(H₂O)₂]·H₂O, the cisoid angles are in the range 85.59 (5)–93.56 (5)°, while two equal transoid angles deviate significantly from the ideal linear angle, the third being almost linear. One carboxylate group is almost coplanar [1.23 (13)°] with the plane of its parent aromatic ring, although it has one O-atom donor involved in one coordination and one hydrogen bond as acceptor. The other carboxylate group does not coordinate and is rotated out of this plane with a torsional twist of 17.27 (20)°. The coordination neutral entity, based on aqua ligands and two cyclic co-ligands seems, at first sight, monomeric. Strongly tight, via one intramolecular hydrogen bond between aqua and carboxylate O atoms, it brings out a quasi-planar six-membered ring around the Co^II atom, turning the CoN₃O₃ coordination octahedron into a new building block. The rigidity of this feature associated with several hydrogen-bonded arrays yields an extended structure. In the resulting supramolecular packing, a binuclear hydrated Co^II assembly, built up from triple strands driven by different heterosynthons, embodies the synergy of coordination, covalent and hydrogen bonds.

Url:

http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3343867

DOI: 10.1107/S1600536812011993
PubMed: 22589841
PubMed Central: 3343867

Affiliations:

Algérie, France

Links to Exploration step

PMC:3343867

Le document en format XML

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,<italic>mer</italic>
-diaquatris(1<italic>H</italic>
-imidazole-κ<italic>N</italic>
<sup>3</sup>
)(terephthalato-κ<italic>O</italic>
)cobalt(II) monohydrate</title>
<author><name sortKey="Benkanoun, Aouaouche" sort="Benkanoun, Aouaouche" uniqKey="Benkanoun A" first="Aouaouche" last="Benkanoun">Aouaouche Benkanoun</name>
<affiliation wicri:level="1"><nlm:aff id="a">Laboratoire de Cristallographie-Thermodynamique, Faculté de Chimie, U.S.T.H.B., BP 32 El-Alia, Bab-Ezzouar 16111, Alger,<country>Algeria</country>
</nlm:aff>
<country xml:lang="fr">Algérie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
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<author><name sortKey="Balegroune, Fadila" sort="Balegroune, Fadila" uniqKey="Balegroune F" first="Fadila" last="Balegroune">Fadila Balegroune</name>
<affiliation wicri:level="1"><nlm:aff id="a">Laboratoire de Cristallographie-Thermodynamique, Faculté de Chimie, U.S.T.H.B., BP 32 El-Alia, Bab-Ezzouar 16111, Alger,<country>Algeria</country>
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<country xml:lang="fr">Algérie</country>
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</affiliation>
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<author><name sortKey="Guehria Laidoudi, Achoura" sort="Guehria Laidoudi, Achoura" uniqKey="Guehria Laidoudi A" first="Achoura" last="Guehria-Laïdoudi">Achoura Guehria-Laïdoudi</name>
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</nlm:aff>
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<author><name sortKey="Dahaoui, Slimane" sort="Dahaoui, Slimane" uniqKey="Dahaoui S" first="Slimane" last="Dahaoui">Slimane Dahaoui</name>
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<author><name sortKey="Lecomte, Claude" sort="Lecomte, Claude" uniqKey="Lecomte C" first="Claude" last="Lecomte">Claude Lecomte</name>
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<sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">Intra- and supramolecular interactions in <italic>cis</italic>
,<italic>mer</italic>
-diaquatris(1<italic>H</italic>
-imidazole-κ<italic>N</italic>
<sup>3</sup>
)(terephthalato-κ<italic>O</italic>
)cobalt(II) monohydrate</title>
<author><name sortKey="Benkanoun, Aouaouche" sort="Benkanoun, Aouaouche" uniqKey="Benkanoun A" first="Aouaouche" last="Benkanoun">Aouaouche Benkanoun</name>
<affiliation wicri:level="1"><nlm:aff id="a">Laboratoire de Cristallographie-Thermodynamique, Faculté de Chimie, U.S.T.H.B., BP 32 El-Alia, Bab-Ezzouar 16111, Alger,<country>Algeria</country>
</nlm:aff>
<country xml:lang="fr">Algérie</country>
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</author>
<author><name sortKey="Balegroune, Fadila" sort="Balegroune, Fadila" uniqKey="Balegroune F" first="Fadila" last="Balegroune">Fadila Balegroune</name>
<affiliation wicri:level="1"><nlm:aff id="a">Laboratoire de Cristallographie-Thermodynamique, Faculté de Chimie, U.S.T.H.B., BP 32 El-Alia, Bab-Ezzouar 16111, Alger,<country>Algeria</country>
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<country xml:lang="fr">Algérie</country>
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<affiliation wicri:level="1"><nlm:aff id="a">Laboratoire de Cristallographie-Thermodynamique, Faculté de Chimie, U.S.T.H.B., BP 32 El-Alia, Bab-Ezzouar 16111, Alger,<country>Algeria</country>
</nlm:aff>
<country xml:lang="fr">Algérie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
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<author><name sortKey="Dahaoui, Slimane" sort="Dahaoui, Slimane" uniqKey="Dahaoui S" first="Slimane" last="Dahaoui">Slimane Dahaoui</name>
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</nlm:aff>
<country xml:lang="fr">France</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
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<front><div type="abstract" xml:lang="en"><p>In the title compound, [Co(C<sub>8</sub>
H<sub>4</sub>
O<sub>4</sub>
)(C<sub>3</sub>
H<sub>4</sub>
N<sub>2</sub>
)<sub>3</sub>
(H<sub>2</sub>
O)<sub>2</sub>
]·H<sub>2</sub>
O, the <italic>cisoid</italic>
 angles are in the range 85.59 (5)–93.56 (5)°, while two equal <italic>transoid</italic>
 angles deviate significantly from the ideal linear angle, the third being almost linear. One carboxylate group is almost coplanar [1.23 (13)°] with the plane of its parent aromatic ring, although it has one O-atom donor involved in one coordination and one hydrogen bond as acceptor. The other carboxylate group does not coordinate and is rotated out of this plane with a torsional twist of 17.27 (20)°. The coordination neutral entity, based on aqua ligands and two cyclic co-ligands seems, at first sight, monomeric. Strongly tight, <italic>via</italic>
 one intramolecular hydrogen bond between aqua and carboxylate O atoms, it brings out a quasi-planar six-membered ring around the Co<sup>II</sup>
 atom, turning the CoN<sub>3</sub>
O<sub>3</sub>
 coordination octahedron into a new building block. The rigidity of this feature associated with several hydrogen-bonded arrays yields an extended structure. In the resulting supramolecular packing, a binuclear hydrated Co<sup>II</sup>
 assembly, built up from triple strands driven by different heterosynthons, embodies the synergy of coordination, covalent and hydrogen bonds.</p>
</div>
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Serveur d'exploration sur le cobalt au Maghreb

Intra- and supramolecular interactions in cis,mer-diaquatris(1H-imidazole-κN3)(terephthalato-κO)cobalt(II) monohydrate

Intra- and supramolecular interactions in cis,mer-diaquatris(1H-imidazole-κN3)(terephthalato-κO)cobalt(II) monohydrate

Source :

Abstract

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	Serveur d'exploration sur le cobalt au Maghreb
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Serveur d'exploration sur le cobalt au Maghreb

Intra- and supra­molecular inter­actions in cis,mer-diaqua­tris­(1H-imidazole-κN3)(terephthalato-κO)cobalt(II) monohydrate

Intra- and supra­molecular inter­actions in cis,mer-diaqua­tris­(1H-imidazole-κN3)(terephthalato-κO)cobalt(II) monohydrate

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Abstract

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Intra- and supramolecular interactions in cis,mer-diaquatris(1H-imidazole-κN3)(terephthalato-κO)cobalt(II) monohydrate

Intra- and supramolecular interactions in cis,mer-diaquatris(1H-imidazole-κN3)(terephthalato-κO)cobalt(II) monohydrate