trans-Diaquabis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole]nickel(II) bis(tetrafluoridoborate)
Identifieur interne : 000029 ( Pmc/Curation ); précédent : 000028; suivant : 000030trans-Diaquabis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole]nickel(II) bis(tetrafluoridoborate)
Auteurs : Fouad Bentiss [Maroc] ; Frédéric Capet [France] ; Michel Lagrenée [France] ; Mohamed Saadi [Maroc] ; Lahcen El Ammari [Maroc]Source :
- Acta Crystallographica Section E: Structure Reports Online [ 1600-5368 ] ; 2011.
Abstract
The bidentate 1,3,4-thiadiazole ligand, namely, 2,5-bis(2-pyridyl)-1,3,4-thiadiazole (denoted
Url:
DOI: 10.1107/S1600536811026420
PubMed: 22090840
PubMed Central: 3212138
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-Diaquabis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole]nickel(II) bis(tetrafluoridoborate)</title>
<author><name sortKey="Bentiss, Fouad" sort="Bentiss, Fouad" uniqKey="Bentiss F" first="Fouad" last="Bentiss">Fouad Bentiss</name>
<affiliation wicri:level="1"><nlm:aff id="a">Laboratoire de Chimie de Coordination et d’Analytique (LCCA), Faculté des Sciences, Université Chouaib Doukkali, BP 20, M-24000 El Jadida,<country>Morocco</country>
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<country xml:lang="fr">Maroc</country>
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<author><name sortKey="Capet, Frederic" sort="Capet, Frederic" uniqKey="Capet F" first="Frédéric" last="Capet">Frédéric Capet</name>
<affiliation wicri:level="1"><nlm:aff id="b">Unité de Catalyse et de Chimie du Solide (UCCS), CNRS UMR 8181, ENSCL, BP 90108, F-59652 Villeneuve d’Ascq Cedex, France, Université Lille Nord de France, F-59000 Lille,<country>France</country>
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<country xml:lang="fr">France</country>
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<author><name sortKey="Lagrenee, Michel" sort="Lagrenee, Michel" uniqKey="Lagrenee M" first="Michel" last="Lagrenée">Michel Lagrenée</name>
<affiliation wicri:level="1"><nlm:aff id="b">Unité de Catalyse et de Chimie du Solide (UCCS), CNRS UMR 8181, ENSCL, BP 90108, F-59652 Villeneuve d’Ascq Cedex, France, Université Lille Nord de France, F-59000 Lille,<country>France</country>
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<country xml:lang="fr">France</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
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<author><name sortKey="Saadi, Mohamed" sort="Saadi, Mohamed" uniqKey="Saadi M" first="Mohamed" last="Saadi">Mohamed Saadi</name>
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<country xml:lang="fr">Maroc</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
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<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="c">Laboratoire de Chimie du Solide Appliquée, Faculté des Sciences, Université Mohammed V-Agdal, Avenue Ibn Battouta, BP 1014, Rabat,<country>Morocco</country>
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<sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main"><italic>trans</italic>
-Diaquabis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole]nickel(II) bis(tetrafluoridoborate)</title>
<author><name sortKey="Bentiss, Fouad" sort="Bentiss, Fouad" uniqKey="Bentiss F" first="Fouad" last="Bentiss">Fouad Bentiss</name>
<affiliation wicri:level="1"><nlm:aff id="a">Laboratoire de Chimie de Coordination et d’Analytique (LCCA), Faculté des Sciences, Université Chouaib Doukkali, BP 20, M-24000 El Jadida,<country>Morocco</country>
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<country xml:lang="fr">Maroc</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Capet, Frederic" sort="Capet, Frederic" uniqKey="Capet F" first="Frédéric" last="Capet">Frédéric Capet</name>
<affiliation wicri:level="1"><nlm:aff id="b">Unité de Catalyse et de Chimie du Solide (UCCS), CNRS UMR 8181, ENSCL, BP 90108, F-59652 Villeneuve d’Ascq Cedex, France, Université Lille Nord de France, F-59000 Lille,<country>France</country>
</nlm:aff>
<country xml:lang="fr">France</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
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<author><name sortKey="Lagrenee, Michel" sort="Lagrenee, Michel" uniqKey="Lagrenee M" first="Michel" last="Lagrenée">Michel Lagrenée</name>
<affiliation wicri:level="1"><nlm:aff id="b">Unité de Catalyse et de Chimie du Solide (UCCS), CNRS UMR 8181, ENSCL, BP 90108, F-59652 Villeneuve d’Ascq Cedex, France, Université Lille Nord de France, F-59000 Lille,<country>France</country>
</nlm:aff>
<country xml:lang="fr">France</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
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<author><name sortKey="Saadi, Mohamed" sort="Saadi, Mohamed" uniqKey="Saadi M" first="Mohamed" last="Saadi">Mohamed Saadi</name>
<affiliation wicri:level="1"><nlm:aff id="c">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>
<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="c">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>
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<series><title level="j">Acta Crystallographica Section E: Structure Reports Online</title>
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<imprint><date when="2011">2011</date>
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<front><div type="abstract" xml:lang="en"><p>The bidentate 1,3,4-thiadiazole ligand, namely, 2,5-bis(2-pyridyl)-1,3,4-thiadiazole (denoted <italic>L</italic>
), untested as a polydentate ligand, has been found to form the monomeric title complex, [Ni(C<sub>12</sub>
H<sub>8</sub>
N<sub>4</sub>
S)<sub>2</sub>
(H<sub>2</sub>
O)<sub>2</sub>
](BF<sub>4</sub>
)<sub>2</sub>
. The complex shows an octahedral environment of the nickel cation in which the Ni<sup>2+</sup>
ion is located on a center of symmetry, linked to two ligands and two water molecules. In this 1:2 complex (one metal for two organic ligands) each thiadiazole ligand uses one pyridyl and one thiadiazole N atom for chelate binding. In the second pyridyl substituent, the N atom is oriented towards the same direction as the S atom of the 1,3,4-thiadiazole ring. The mean plane of the thiadiazole and pyridyl rings linked to the nickel cation forms a dihedral angle with the other pyridine ring of 18.63 (8)°. The tetrafluoridoborate ions can be regarded as free anions in the crystal lattice. Nevertheless, they are involved in an infinite two-dimensional network parallel to (<inline-formula><inline-graphic xlink:href="e-67-m1052-efi1.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
01) through O—H⋯F hydrogen bonds.</p>
</div>
</front>
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<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="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">22090840</article-id>
<article-id pub-id-type="pmc">3212138</article-id>
<article-id pub-id-type="publisher-id">dn2703</article-id>
<article-id pub-id-type="doi">10.1107/S1600536811026420</article-id>
<article-id pub-id-type="coden">ACSEBH</article-id>
<article-id pub-id-type="pii">S1600536811026420</article-id>
<article-categories><subj-group subj-group-type="heading"><subject>Metal-Organic Papers</subject>
</subj-group>
</article-categories>
<title-group><article-title><italic>trans</italic>
-Diaquabis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole]nickel(II) bis(tetrafluoridoborate)</article-title>
<alt-title><italic>[Ni(C<sub>12</sub>
H<sub>8</sub>
N<sub>4</sub>
S)<sub>2</sub>
(H<sub>2</sub>
O)<sub>2</sub>
](BF<sub>4</sub>
)<sub>2</sub>
</italic>
</alt-title>
</title-group>
<contrib-group><contrib contrib-type="author"><name><surname>Bentiss</surname>
<given-names>Fouad</given-names>
</name>
<xref ref-type="aff" rid="a">a</xref>
<xref ref-type="corresp" rid="cor">*</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Capet</surname>
<given-names>Frédéric</given-names>
</name>
<xref ref-type="aff" rid="b">b</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Lagrenée</surname>
<given-names>Michel</given-names>
</name>
<xref ref-type="aff" rid="b">b</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Saadi</surname>
<given-names>Mohamed</given-names>
</name>
<xref ref-type="aff" rid="c">c</xref>
</contrib>
<contrib contrib-type="author"><name><surname>El Ammari</surname>
<given-names>Lahcen</given-names>
</name>
<xref ref-type="aff" rid="c">c</xref>
</contrib>
<aff id="a"><label>a</label>
Laboratoire de Chimie de Coordination et d’Analytique (LCCA), Faculté des Sciences, Université Chouaib Doukkali, BP 20, M-24000 El Jadida,<country>Morocco</country>
</aff>
<aff id="b"><label>b</label>
Unité de Catalyse et de Chimie du Solide (UCCS), CNRS UMR 8181, ENSCL, BP 90108, F-59652 Villeneuve d’Ascq Cedex, France, Université Lille Nord de France, F-59000 Lille,<country>France</country>
</aff>
<aff id="c"><label>c</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>f_bentiss@yahoo.fr</email>
</corresp>
</author-notes>
<pub-date pub-type="collection"><day>01</day>
<month>8</month>
<year>2011</year>
</pub-date>
<pub-date pub-type="epub"><day>09</day>
<month>7</month>
<year>2011</year>
</pub-date>
<pub-date pub-type="pmc-release"><day>09</day>
<month>7</month>
<year>2011</year>
</pub-date>
<pmc-comment> PMC Release delay is 0 months and 0 days and was based on the
. </pmc-comment>
<volume>67</volume>
<issue>Pt 8</issue>
<issue-id pub-id-type="publisher-id">e110800</issue-id>
<fpage>m1052</fpage>
<lpage>m1053</lpage>
<history><date date-type="received"><day>30</day>
<month>6</month>
<year>2011</year>
</date>
<date date-type="accepted"><day>03</day>
<month>7</month>
<year>2011</year>
</date>
</history>
<permissions><copyright-statement>© Bentiss et al. 2011</copyright-statement>
<copyright-year>2011</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/S1600536811026420">A full version of this article is available from Crystallography Journals Online.</self-uri>
<abstract><p>The bidentate 1,3,4-thiadiazole ligand, namely, 2,5-bis(2-pyridyl)-1,3,4-thiadiazole (denoted <italic>L</italic>
), untested as a polydentate ligand, has been found to form the monomeric title complex, [Ni(C<sub>12</sub>
H<sub>8</sub>
N<sub>4</sub>
S)<sub>2</sub>
(H<sub>2</sub>
O)<sub>2</sub>
](BF<sub>4</sub>
)<sub>2</sub>
. The complex shows an octahedral environment of the nickel cation in which the Ni<sup>2+</sup>
ion is located on a center of symmetry, linked to two ligands and two water molecules. In this 1:2 complex (one metal for two organic ligands) each thiadiazole ligand uses one pyridyl and one thiadiazole N atom for chelate binding. In the second pyridyl substituent, the N atom is oriented towards the same direction as the S atom of the 1,3,4-thiadiazole ring. The mean plane of the thiadiazole and pyridyl rings linked to the nickel cation forms a dihedral angle with the other pyridine ring of 18.63 (8)°. The tetrafluoridoborate ions can be regarded as free anions in the crystal lattice. Nevertheless, they are involved in an infinite two-dimensional network parallel to (<inline-formula><inline-graphic xlink:href="e-67-m1052-efi1.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
01) through O—H⋯F hydrogen bonds.</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">O1—H1<italic>W</italic>
⋯F1<sup>i</sup>
</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.86</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">1.88</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.704 (2)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">160</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O1—H2<italic>W</italic>
⋯F4</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.86</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">1.94</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.7880 (19)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">171</td>
</tr>
</tbody>
</table>
<table-wrap-foot><p>Symmetry code: (i) <inline-formula><inline-graphic xlink:href="e-67-m1052-efi3.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
.</p>
</table-wrap-foot>
</table-wrap>
</floats-group>
</pmc>
</record>
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