NickelMaghrebV1, Pmc, Checkpoint, bibRecord, 000034

trans-Diaquabis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole]nickel(II) bis(tetrafluoridoborate)

Identifieur interne : 000034 ( Pmc/Checkpoint ); précédent : 000033; suivant : 000035

trans-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.

RBID : PMC:3212138

Abstract

The bidentate 1,3,4-thiadiazole ligand, namely, 2,5-bis(2-pyridyl)-1,3,4-thiadiazole (denoted L), untested as a polydentate ligand, has been found to form the monomeric title complex, [Ni(C₁₂H₈N₄S)₂(H₂O)₂](BF₄)₂. The complex shows an octahedral environment of the nickel cation in which the Ni²⁺ 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 (01) through O—H⋯F hydrogen bonds.

Url:

http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3212138

DOI: 10.1107/S1600536811026420
PubMed: 22090840
PubMed Central: 3212138

Affiliations:

France, Maroc

Links toward previous steps (curation, corpus...)

to stream Pmc, to step Corpus: 000029
to stream Pmc, to step Curation: 000029

Links to Exploration step

PMC:3212138

Le document en format XML

<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en"><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>
</nlm:aff>
<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>
</affiliation>
</author>
<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>
</affiliation>
</author>
<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>
</titleStmt>
<publicationStmt><idno type="wicri:source">PMC</idno>
<idno type="pmid">22090840</idno>
<idno type="pmc">3212138</idno>
<idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3212138</idno>
<idno type="RBID">PMC:3212138</idno>
<idno type="doi">10.1107/S1600536811026420</idno>
<date when="2011">2011</date>
<idno type="wicri:Area/Pmc/Corpus">000029</idno>
<idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Corpus" wicri:corpus="PMC">000029</idno>
<idno type="wicri:Area/Pmc/Curation">000029</idno>
<idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Curation">000029</idno>
<idno type="wicri:Area/Pmc/Checkpoint">000034</idno>
<idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Checkpoint">000034</idno>
</publicationStmt>
<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>
</nlm:aff>
<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>
</affiliation>
</author>
<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>
</affiliation>
</author>
<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>
</analytic>
<series><title level="j">Acta Crystallographica Section E: Structure Reports Online</title>
<idno type="eISSN">1600-5368</idno>
<imprint><date when="2011">2011</date>
</imprint>
</series>
</biblStruct>
</sourceDesc>
</fileDesc>
<profileDesc><textClass></textClass>
</profileDesc>
</teiHeader>
<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>
<back><div1 type="bibliography"><listBibl><biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
<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="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>
<affiliations><list><country><li>France</li>
<li>Maroc</li>
</country>
</list>
<tree><country name="Maroc"><noRegion><name sortKey="Bentiss, Fouad" sort="Bentiss, Fouad" uniqKey="Bentiss F" first="Fouad" last="Bentiss">Fouad Bentiss</name>
</noRegion>
<name sortKey="El Ammari, Lahcen" sort="El Ammari, Lahcen" uniqKey="El Ammari L" first="Lahcen" last="El Ammari">Lahcen El Ammari</name>
<name sortKey="Saadi, Mohamed" sort="Saadi, Mohamed" uniqKey="Saadi M" first="Mohamed" last="Saadi">Mohamed Saadi</name>
</country>
<country name="France"><noRegion><name sortKey="Capet, Frederic" sort="Capet, Frederic" uniqKey="Capet F" first="Frédéric" last="Capet">Frédéric Capet</name>
</noRegion>
<name sortKey="Lagrenee, Michel" sort="Lagrenee, Michel" uniqKey="Lagrenee M" first="Michel" last="Lagrenée">Michel Lagrenée</name>
</country>
</tree>
</affiliations>
</record>

Pour manipuler ce document sous Unix (Dilib)

EXPLOR_STEP=$WICRI_ROOT/Wicri/Terre/explor/NickelMaghrebV1/Data/Pmc/Checkpoint

HfdSelect -h $EXPLOR_STEP/biblio.hfd -nk 000034 | SxmlIndent | more

HfdSelect -h $EXPLOR_AREA/Data/Pmc/Checkpoint/biblio.hfd -nk 000034 | SxmlIndent | more

Pour mettre un lien sur cette page dans le réseau Wicri

{{Explor lien
   |wiki=    Wicri/Terre
   |area=    NickelMaghrebV1
   |flux=    Pmc
   |étape=   Checkpoint
   |type=    RBID
   |clé=     PMC:3212138
   |texte=   trans-Diaquabis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole]nickel(II) bis(tetrafluoridoborate)
}}

Pour générer des pages wiki

HfdIndexSelect -h $EXPLOR_AREA/Data/Pmc/Checkpoint/RBID.i   -Sk "pubmed:22090840" \
       | HfdSelect -Kh $EXPLOR_AREA/Data/Pmc/Checkpoint/biblio.hfd   \
       | NlmPubMed2Wicri -a NickelMaghrebV1

This area was generated with Dilib version V0.6.27.
Data generation: Fri Mar 24 23:14:20 2017. Site generation: Tue Mar 5 17:03:47 2024

	Serveur d'exploration sur le nickel au Maghreb
	Attention, ce site est en cours de développement ! Attention, site généré par des moyens informatiques à partir de corpus bruts. Les informations ne sont donc pas validées.

Serveur d'exploration sur le nickel au Maghreb

trans-Diaqua­bis­[2,5-bis­(pyridin-2-yl)-1,3,4-thia­diazole]nickel(II) bis­(tetra­fluoridoborate)

trans-Diaqua­bis­[2,5-bis­(pyridin-2-yl)-1,3,4-thia­diazole]nickel(II) bis­(tetra­fluoridoborate)

Source :

Abstract

Links toward previous steps (curation, corpus...)

Links to Exploration step

Le document en format XML

Pour manipuler ce document sous Unix (Dilib)

Pour mettre un lien sur cette page dans le réseau Wicri

Pour générer des pages wiki

trans-Diaquabis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole]nickel(II) bis(tetrafluoridoborate)

trans-Diaquabis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole]nickel(II) bis(tetrafluoridoborate)