Bis[1-benzyl-2-(1,3-thiazol-4-yl)-1H-benzimidazole-κ2N2,N3]dichloridocobalt(II)
Identifieur interne : 000361 ( Pmc/Curation ); précédent : 000360; suivant : 000362Bis[1-benzyl-2-(1,3-thiazol-4-yl)-1H-benzimidazole-κ2N2,N3]dichloridocobalt(II)
Auteurs : Hicham Gueddar [Maroc] ; Rachid Bouhfid [Maroc] ; El Mokhtar Essassi [Maroc] ; Nabil El Brahmi [Maroc, France] ; Lahcen El Ammari [Maroc]Source :
- Acta Crystallographica Section E: Structure Reports Online [ 1600-5368 ] ; 2012.
Abstract
In the title compound, [CoCl2(C17H13N3S)2], the CoII atom exhibits a distorted octahedral coordination geometry involving two chloride ligands, one of which is split over two positions [refined site-occupancy ratio = 0.847 (18):0.153 (18)], and four N-atom donors from two 1-benzyl-2-(1,3-thiazol-4-yl)-1
Url:
DOI: 10.1107/S1600536812048751
PubMed: 23476345
PubMed Central: 3588380
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<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Bis[1-benzyl-2-(1,3-thiazol-4-yl)-1<italic>H</italic>-benzimidazole-κ<sup>2</sup><italic>N</italic><sup>2</sup>,<italic>N</italic><sup>3</sup>]dichloridocobalt(II)</title><author><name sortKey="Gueddar, Hicham" sort="Gueddar, Hicham" uniqKey="Gueddar H" first="Hicham" last="Gueddar">Hicham Gueddar</name><affiliation wicri:level="1"><nlm:aff id="a">Laboratoire de Chimie Organique Hétérocyclique, URAC 21, Pôle de Compétences Pharmacochimie, Université Mohammed V-Agdal, BP 1014 Avenue Ibn Batouta, Rabat,<country>Morocco</country></nlm:aff><country xml:lang="fr">Maroc</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation><affiliation wicri:level="1"><nlm:aff id="b">Institute of Nanomaterials and Nanotechnology, MAScIR, Avenue de l’Armée Royale, Rabat,<country>Morocco</country></nlm:aff><country xml:lang="fr">Maroc</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Bouhfid, Rachid" sort="Bouhfid, Rachid" uniqKey="Bouhfid R" first="Rachid" last="Bouhfid">Rachid Bouhfid</name><affiliation wicri:level="1"><nlm:aff id="b">Institute of Nanomaterials and Nanotechnology, MAScIR, Avenue de l’Armée Royale, Rabat,<country>Morocco</country></nlm:aff><country xml:lang="fr">Maroc</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Essassi, El Mokhtar" sort="Essassi, El Mokhtar" uniqKey="Essassi E" first="El Mokhtar" last="Essassi">El Mokhtar Essassi</name><affiliation wicri:level="1"><nlm:aff id="a">Laboratoire de Chimie Organique Hétérocyclique, URAC 21, Pôle de Compétences Pharmacochimie, Université Mohammed V-Agdal, BP 1014 Avenue Ibn Batouta, Rabat,<country>Morocco</country></nlm:aff><country xml:lang="fr">Maroc</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation><affiliation wicri:level="1"><nlm:aff id="b">Institute of Nanomaterials and Nanotechnology, MAScIR, Avenue de l’Armée Royale, Rabat,<country>Morocco</country></nlm:aff><country xml:lang="fr">Maroc</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="El Brahmi, Nabil" sort="El Brahmi, Nabil" uniqKey="El Brahmi N" first="Nabil" last="El Brahmi">Nabil El Brahmi</name><affiliation wicri:level="1"><nlm:aff id="c">Laboratoire de Chimie Organique Hétérocyclique, URAC 21, Faculté des Sciences, Université Mohammed V-Agdal, Avenue Ibn Battouta, BP 1014, Rabat,<country>Morocco</country></nlm:aff><country xml:lang="fr">Maroc</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation><affiliation wicri:level="1"><nlm:aff id="d">Laboratoire de Chimie de Coordination, Équipe Dendrimères et Hétérochimie, Toulouse,<country>France</country></nlm:aff><country xml:lang="fr">France</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="El Ammari, Lahcen" sort="El Ammari, Lahcen" uniqKey="El Ammari L" first="Lahcen" last="El Ammari">Lahcen El Ammari</name><affiliation wicri:level="1"><nlm:aff id="e">Laboratoire de Chimie du Solide Appliquée, Faculté des Sciences, Université Mohammed V-Agdal, Avenue Ibn Battouta, BP 1014, Rabat,<country>Morocco</country></nlm:aff><country xml:lang="fr">Maroc</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">PMC</idno><idno type="pmid">23476345</idno><idno type="pmc">3588380</idno><idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588380</idno><idno type="RBID">PMC:3588380</idno><idno type="doi">10.1107/S1600536812048751</idno><date when="2012">2012</date><idno type="wicri:Area/Pmc/Corpus">000362</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Corpus" wicri:corpus="PMC">000362</idno><idno type="wicri:Area/Pmc/Curation">000361</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Curation">000361</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">Bis[1-benzyl-2-(1,3-thiazol-4-yl)-1<italic>H</italic>-benzimidazole-κ<sup>2</sup><italic>N</italic><sup>2</sup>,<italic>N</italic><sup>3</sup>]dichloridocobalt(II)</title><author><name sortKey="Gueddar, Hicham" sort="Gueddar, Hicham" uniqKey="Gueddar H" first="Hicham" last="Gueddar">Hicham Gueddar</name><affiliation wicri:level="1"><nlm:aff id="a">Laboratoire de Chimie Organique Hétérocyclique, URAC 21, Pôle de Compétences Pharmacochimie, Université Mohammed V-Agdal, BP 1014 Avenue Ibn Batouta, Rabat,<country>Morocco</country></nlm:aff><country xml:lang="fr">Maroc</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation><affiliation wicri:level="1"><nlm:aff id="b">Institute of Nanomaterials and Nanotechnology, MAScIR, Avenue de l’Armée Royale, Rabat,<country>Morocco</country></nlm:aff><country xml:lang="fr">Maroc</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Bouhfid, Rachid" sort="Bouhfid, Rachid" uniqKey="Bouhfid R" first="Rachid" last="Bouhfid">Rachid Bouhfid</name><affiliation wicri:level="1"><nlm:aff id="b">Institute of Nanomaterials and Nanotechnology, MAScIR, Avenue de l’Armée Royale, Rabat,<country>Morocco</country></nlm:aff><country xml:lang="fr">Maroc</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Essassi, El Mokhtar" sort="Essassi, El Mokhtar" uniqKey="Essassi E" first="El Mokhtar" last="Essassi">El Mokhtar Essassi</name><affiliation wicri:level="1"><nlm:aff id="a">Laboratoire de Chimie Organique Hétérocyclique, URAC 21, Pôle de Compétences Pharmacochimie, Université Mohammed V-Agdal, BP 1014 Avenue Ibn Batouta, Rabat,<country>Morocco</country></nlm:aff><country xml:lang="fr">Maroc</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation><affiliation wicri:level="1"><nlm:aff id="b">Institute of Nanomaterials and Nanotechnology, MAScIR, Avenue de l’Armée Royale, Rabat,<country>Morocco</country></nlm:aff><country xml:lang="fr">Maroc</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="El Brahmi, Nabil" sort="El Brahmi, Nabil" uniqKey="El Brahmi N" first="Nabil" last="El Brahmi">Nabil El Brahmi</name><affiliation wicri:level="1"><nlm:aff id="c">Laboratoire de Chimie Organique Hétérocyclique, URAC 21, Faculté des Sciences, Université Mohammed V-Agdal, Avenue Ibn Battouta, BP 1014, Rabat,<country>Morocco</country></nlm:aff><country xml:lang="fr">Maroc</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation><affiliation wicri:level="1"><nlm:aff id="d">Laboratoire de Chimie de Coordination, Équipe Dendrimères et Hétérochimie, Toulouse,<country>France</country></nlm:aff><country xml:lang="fr">France</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="El Ammari, Lahcen" sort="El Ammari, Lahcen" uniqKey="El Ammari L" first="Lahcen" last="El Ammari">Lahcen El Ammari</name><affiliation wicri:level="1"><nlm:aff id="e">Laboratoire de Chimie du Solide Appliquée, Faculté des Sciences, Université Mohammed V-Agdal, Avenue Ibn Battouta, BP 1014, Rabat,<country>Morocco</country></nlm:aff><country xml:lang="fr">Maroc</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author></analytic><series><title level="j">Acta Crystallographica Section E: Structure Reports Online</title><idno type="eISSN">1600-5368</idno><imprint><date when="2012">2012</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en"><p>In the title compound, [CoCl<sub>2</sub>(C<sub>17</sub>H<sub>13</sub>N<sub>3</sub>S)<sub>2</sub>], the Co<sup>II</sup> atom exhibits a distorted octahedral coordination geometry involving two chloride ligands, one of which is split over two positions [refined site-occupancy ratio = 0.847 (18):0.153 (18)], and four N-atom donors from two 1-benzyl-2-(1,3-thiazol-4-yl)-1<italic>H</italic>-benzimidazole ligands. The two chelate rings including the Co<sup>II</sup> atom are essentially planar, the maximum deviations from the mean planes being 0.080 (2) and 0.046 (2) Å; the dihedral angle between them is 74.1 (1)°. In both ligands, the thiazole and benzimidazole rings are nearly coplanar, as indicated by the dihedral angles between their planes of 1.16 (8) and 6.29 (7)°. Each pendant benzene ring is almost perpendicular to the benzimidazole molecule to which it is attached; the dihedral angles between their planes are 75.94 (9) and 75.55 (10)°. The crystal structure is stabilized by non-classical C—H⋯Cl hydrogen bonding forming a three-dimensional network.</p></div></front><back><div1 type="bibliography"><listBibl><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct></listBibl></div1></back></TEI><pmc article-type="research-article"><pmc-dir>properties open_access</pmc-dir>
<front><journal-meta><journal-id journal-id-type="nlm-ta">Acta Crystallogr Sect E Struct Rep Online</journal-id><journal-id journal-id-type="iso-abbrev">Acta Crystallogr Sect E Struct Rep Online</journal-id><journal-id journal-id-type="publisher-id">Acta Cryst. E</journal-id><journal-title-group><journal-title>Acta Crystallographica Section E: Structure Reports Online</journal-title></journal-title-group><issn pub-type="epub">1600-5368</issn><publisher><publisher-name>International Union of Crystallography</publisher-name></publisher></journal-meta><article-meta><article-id pub-id-type="pmid">23476345</article-id><article-id pub-id-type="pmc">3588380</article-id><article-id pub-id-type="publisher-id">bt6860</article-id><article-id pub-id-type="doi">10.1107/S1600536812048751</article-id><article-id pub-id-type="coden">ACSEBH</article-id><article-id pub-id-type="pii">S1600536812048751</article-id><article-categories><subj-group subj-group-type="heading"><subject>Metal-Organic Papers</subject></subj-group></article-categories><title-group><article-title>Bis[1-benzyl-2-(1,3-thiazol-4-yl)-1<italic>H</italic>-benzimidazole-κ<sup>2</sup><italic>N</italic><sup>2</sup>,<italic>N</italic><sup>3</sup>]dichloridocobalt(II)</article-title><alt-title><italic>[CoCl<sub>2</sub>(C<sub>17</sub>H<sub>13</sub>N<sub>3</sub>S)<sub>2</sub>]</italic></alt-title></title-group><contrib-group><contrib contrib-type="author"><name><surname>Gueddar</surname><given-names>Hicham</given-names></name><xref ref-type="aff" rid="a">a</xref><xref ref-type="aff" rid="b">b</xref><xref ref-type="corresp" rid="cor">*</xref></contrib><contrib contrib-type="author"><name><surname>Bouhfid</surname><given-names>Rachid</given-names></name><xref ref-type="aff" rid="b">b</xref></contrib><contrib contrib-type="author"><name><surname>Essassi</surname><given-names>El Mokhtar</given-names></name><xref ref-type="aff" rid="a">a</xref><xref ref-type="aff" rid="b">b</xref></contrib><contrib contrib-type="author"><name><surname>El Brahmi</surname><given-names>Nabil</given-names></name><xref ref-type="aff" rid="c">c</xref><xref ref-type="aff" rid="d">d</xref></contrib><contrib contrib-type="author"><name><surname>El Ammari</surname><given-names>Lahcen</given-names></name><xref ref-type="aff" rid="e">e</xref></contrib><aff id="a"><label>a</label>Laboratoire de Chimie Organique Hétérocyclique, URAC 21, Pôle de Compétences Pharmacochimie, Université Mohammed V-Agdal, BP 1014 Avenue Ibn Batouta, Rabat,<country>Morocco</country></aff><aff id="b"><label>b</label>Institute of Nanomaterials and Nanotechnology, MAScIR, Avenue de l’Armée Royale, Rabat,<country>Morocco</country></aff><aff id="c"><label>c</label>Laboratoire de Chimie Organique Hétérocyclique, URAC 21, Faculté des Sciences, Université Mohammed V-Agdal, Avenue Ibn Battouta, BP 1014, Rabat,<country>Morocco</country></aff><aff id="d"><label>d</label>Laboratoire de Chimie de Coordination, Équipe Dendrimères et Hétérochimie, Toulouse,<country>France</country></aff><aff id="e"><label>e</label>Laboratoire de Chimie du Solide Appliquée, Faculté des Sciences, Université Mohammed V-Agdal, Avenue Ibn Battouta, BP 1014, Rabat,<country>Morocco</country></aff></contrib-group><author-notes><corresp id="cor">Correspondence e-mail: <email>h_gueddar@yahoo.fr</email></corresp></author-notes><pub-date pub-type="collection"><day>01</day><month>1</month><year>2013</year></pub-date><pub-date pub-type="epub"><day>05</day><month>12</month><year>2012</year></pub-date><pub-date pub-type="pmc-release"><day>05</day><month>12</month><year>2012</year></pub-date><pmc-comment> PMC Release delay is 0 months and 0 days and was based on the
<volume>69</volume><issue>Pt 1</issue><issue-id pub-id-type="publisher-id">e130100</issue-id><fpage>m5</fpage><lpage>m6</lpage><history><date date-type="received"><day>16</day><month>11</month><year>2012</year></date><date date-type="accepted"><day>27</day><month>11</month><year>2012</year></date></history><permissions><copyright-statement>© Gueddar et al. 2013</copyright-statement><copyright-year>2013</copyright-year><license license-type="open-access" xlink:href="http://creativecommons.org/licenses/by/2.0/uk/"><license-p>This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.</license-p></license></permissions><self-uri xlink:type="simple" xlink:href="http://dx.doi.org/10.1107/S1600536812048751">A full version of this article is available from Crystallography Journals Online.</self-uri><abstract><p>In the title compound, [CoCl<sub>2</sub>(C<sub>17</sub>H<sub>13</sub>N<sub>3</sub>S)<sub>2</sub>], the Co<sup>II</sup> atom exhibits a distorted octahedral coordination geometry involving two chloride ligands, one of which is split over two positions [refined site-occupancy ratio = 0.847 (18):0.153 (18)], and four N-atom donors from two 1-benzyl-2-(1,3-thiazol-4-yl)-1<italic>H</italic>-benzimidazole ligands. The two chelate rings including the Co<sup>II</sup> atom are essentially planar, the maximum deviations from the mean planes being 0.080 (2) and 0.046 (2) Å; the dihedral angle between them is 74.1 (1)°. In both ligands, the thiazole and benzimidazole rings are nearly coplanar, as indicated by the dihedral angles between their planes of 1.16 (8) and 6.29 (7)°. Each pendant benzene ring is almost perpendicular to the benzimidazole molecule to which it is attached; the dihedral angles between their planes are 75.94 (9) and 75.55 (10)°. The crystal structure is stabilized by non-classical C—H⋯Cl hydrogen bonding forming a three-dimensional network.</p></abstract></article-meta></front><floats-group><table-wrap id="table1" position="float"><label>Table 1</label><caption><title>Hydrogen-bond geometry (Å, °)</title></caption><table frame="hsides" rules="groups"><thead valign="bottom"><tr><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>—H⋯<italic>A</italic></th><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>—H</th><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom">H⋯<italic>A</italic></th><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>⋯<italic>A</italic></th><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>—H⋯<italic>A</italic></th></tr></thead><tbody valign="top"><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C11—H11<italic>A</italic>⋯Cl2<italic>A</italic><sup>i</sup></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.99</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.77</td><td style="" rowspan="1" colspan="1" align="left" valign="top">3.693 (2)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">155</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C14—H14⋯Cl1<sup>ii</sup></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.95</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.69</td><td style="" rowspan="1" colspan="1" align="left" valign="top">3.584 (2)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">157</td></tr></tbody></table><table-wrap-foot><p>Symmetry codes: (i) <inline-formula><inline-graphic xlink:href="e-69-000m5-efi2.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>; (ii) <inline-formula><inline-graphic xlink:href="e-69-000m5-efi3.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>.</p></table-wrap-foot></table-wrap></floats-group></pmc></record>Pour manipuler ce document sous Unix (Dilib)
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