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Crystal structure of bis­(azido-κN)bis[2,5-bis(pyridin-2-yl)-1,3,4-thia­diazole-κ2N2,N3]cobalt(II)

Identifieur interne : 000049 ( Pmc/Curation ); précédent : 000048; suivant : 000050

Crystal structure of bis­(azido-κN)bis[2,5-bis(pyridin-2-yl)-1,3,4-thia­diazole-κ2N2,N3]cobalt(II)

Auteurs : Abdelhakim Laachir [Maroc] ; Fouad Bentiss [Maroc] ; Salaheddine Guesmi [Maroc] ; Mohamed Saadi [Maroc] ; Lahcen El Ammari [Maroc]

Source :

RBID : PMC:4420119

Abstract

The structure of the title compound is isotypic with that of the analogous nickel(II) complex, in which the CoN6 core shows an axially weakly compressed octa­hedral geometry as opposed to the almost regular geometry exhibited by the NiN6 octa­hedron.


Url:
DOI: 10.1107/S2056989015006544
PubMed: 25995853
PubMed Central: 4420119

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PMC:4420119

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<title xml:lang="en">Crystal structure of bis­(azido-κ
<italic>N</italic>
)bis[2,5-bis(pyridin-2-yl)-1,3,4-thia­diazole-κ
<sup>2</sup>
<italic>N</italic>
<sup>2</sup>
,
<italic>N</italic>
<sup>3</sup>
]cobalt(II)</title>
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<name sortKey="Saadi, Mohamed" sort="Saadi, Mohamed" uniqKey="Saadi M" first="Mohamed" last="Saadi">Mohamed Saadi</name>
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<name sortKey="El Ammari, Lahcen" sort="El Ammari, Lahcen" uniqKey="El Ammari L" first="Lahcen" last="El Ammari">Lahcen El Ammari</name>
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<country>Morocco</country>
</nlm:aff>
<country xml:lang="fr">Maroc</country>
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<title xml:lang="en" level="a" type="main">Crystal structure of bis­(azido-κ
<italic>N</italic>
)bis[2,5-bis(pyridin-2-yl)-1,3,4-thia­diazole-κ
<sup>2</sup>
<italic>N</italic>
<sup>2</sup>
,
<italic>N</italic>
<sup>3</sup>
]cobalt(II)</title>
<author>
<name sortKey="Laachir, Abdelhakim" sort="Laachir, Abdelhakim" uniqKey="Laachir A" first="Abdelhakim" last="Laachir">Abdelhakim Laachir</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="Bentiss, Fouad" sort="Bentiss, Fouad" uniqKey="Bentiss F" first="Fouad" last="Bentiss">Fouad Bentiss</name>
<affiliation wicri:level="1">
<nlm:aff id="b">Laboratoire de Catalyse et de Corrosion de Matériaux (LCCM), Faculté des Sciences, Université Chouaib Doukkali, BP 20, M-24000 El Jadida,
<country>Morocco</country>
</nlm:aff>
<country xml:lang="fr">Maroc</country>
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<name sortKey="Guesmi, Salaheddine" sort="Guesmi, Salaheddine" uniqKey="Guesmi S" first="Salaheddine" last="Guesmi">Salaheddine Guesmi</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>
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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, 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, Avenue Ibn Battouta, BP 1014, Rabat,
<country>Morocco</country>
</nlm:aff>
<country xml:lang="fr">Maroc</country>
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<series>
<title level="j">Acta Crystallographica Section E: Crystallographic Communications</title>
<idno type="eISSN">2056-9890</idno>
<imprint>
<date when="2015">2015</date>
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<front>
<div type="abstract" xml:lang="en">
<p>The structure of the title compound is isotypic with that of the analogous nickel(II) complex, in which the CoN
<sub>6</sub>
core shows an axially weakly compressed octa­hedral geometry as opposed to the almost regular geometry exhibited by the NiN
<sub>6</sub>
octa­hedron.</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 E Crystallogr Commun</journal-id>
<journal-id journal-id-type="iso-abbrev">Acta Crystallogr E Crystallogr Commun</journal-id>
<journal-id journal-id-type="publisher-id">Acta Cryst. E</journal-id>
<journal-title-group>
<journal-title>Acta Crystallographica Section E: Crystallographic Communications</journal-title>
</journal-title-group>
<issn pub-type="epub">2056-9890</issn>
<publisher>
<publisher-name>International Union of Crystallography</publisher-name>
</publisher>
</journal-meta>
<article-meta>
<article-id pub-id-type="pmid">25995853</article-id>
<article-id pub-id-type="pmc">4420119</article-id>
<article-id pub-id-type="publisher-id">rz5153</article-id>
<article-id pub-id-type="doi">10.1107/S2056989015006544</article-id>
<article-id pub-id-type="coden">ACSECI</article-id>
<article-id pub-id-type="pii">S2056989015006544</article-id>
<article-categories>
<subj-group subj-group-type="heading">
<subject>Research Communications</subject>
</subj-group>
</article-categories>
<title-group>
<article-title>Crystal structure of bis­(azido-κ
<italic>N</italic>
)bis[2,5-bis(pyridin-2-yl)-1,3,4-thia­diazole-κ
<sup>2</sup>
<italic>N</italic>
<sup>2</sup>
,
<italic>N</italic>
<sup>3</sup>
]cobalt(II)</article-title>
<alt-title>
<italic>[Co(N
<sub>3</sub>
)
<sub>2</sub>
(C
<sub>12</sub>
H
<sub>8</sub>
N
<sub>4</sub>
S)
<sub>2</sub>
]</italic>
</alt-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname>Laachir</surname>
<given-names>Abdelhakim</given-names>
</name>
<xref ref-type="aff" rid="a">a</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Bentiss</surname>
<given-names>Fouad</given-names>
</name>
<xref ref-type="aff" rid="b">b</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Guesmi</surname>
<given-names>Salaheddine</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>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>
Laboratoire de Catalyse et de Corrosion de Matériaux (LCCM), Faculté des Sciences, Université Chouaib Doukkali, BP 20, M-24000 El Jadida,
<country>Morocco</country>
</aff>
<aff id="c">
<label>c</label>
Laboratoire de Chimie du Solide Appliquée, Faculté des Sciences, Université Mohammed V, Avenue Ibn Battouta, BP 1014, Rabat,
<country>Morocco</country>
</aff>
</contrib-group>
<author-notes>
<corresp id="cor">Correspondence e-mail:
<email>salaheddine_guesmi@yahoo.fr</email>
</corresp>
</author-notes>
<pub-date pub-type="collection">
<day>01</day>
<month>5</month>
<year>2015</year>
</pub-date>
<pub-date pub-type="epub">
<day>09</day>
<month>4</month>
<year>2015</year>
</pub-date>
<pub-date pub-type="pmc-release">
<day>09</day>
<month>4</month>
<year>2015</year>
</pub-date>
<pmc-comment> PMC Release delay is 0 months and 0 days and was based on the . </pmc-comment>
<volume>71</volume>
<issue>Pt 5</issue>
<issue-id pub-id-type="publisher-id">e150500</issue-id>
<fpage>452</fpage>
<lpage>454</lpage>
<history>
<date date-type="received">
<day>19</day>
<month>3</month>
<year>2015</year>
</date>
<date date-type="accepted">
<day>31</day>
<month>3</month>
<year>2015</year>
</date>
</history>
<permissions>
<copyright-statement>© Laachir et al. 2015</copyright-statement>
<copyright-year>2015</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/S2056989015006544">A full version of this article is available from Crystallography Journals Online.</self-uri>
<abstract abstract-type="toc">
<p>The structure of the title compound is isotypic with that of the analogous nickel(II) complex, in which the CoN
<sub>6</sub>
core shows an axially weakly compressed octa­hedral geometry as opposed to the almost regular geometry exhibited by the NiN
<sub>6</sub>
octa­hedron.</p>
</abstract>
<abstract>
<p>In the mononuclear title complex, [Co(N
<sub>3</sub>
)
<sub>2</sub>
(C
<sub>12</sub>
H
<sub>8</sub>
N
<sub>4</sub>
S)
<sub>2</sub>
], the cobalt(II) atom is located on an inversion centre and displays an axially weakly compressed octa­hedral coordination geometry. The equatorial positions are occupied by the N atoms of two 2,5-bis­(pyridin-2-yl)-1,3,4-thia­diazole ligands, whereas the axial positions are occupied by N atoms of the azide anions. The thia­diazole and pyridine rings linked to the metal are almost coplanar, with a maximum deviation from the mean plane of 0.0273 (16) Å. The cohesion of the crystal is ensured by weak C—H⋯N hydrogen bonds and by π–π inter­actions between pyridine rings [inter­centroid distance = 3.6356 (11) Å], forming a layered arrangement parallel to (001). The structure of the title compound is isotypic with that of the analogous nickel(II) complex [Laachir
<italic>et al.</italic>
(2013
<xref ref-type="bibr" rid="bb8"></xref>
).
<italic>Acta Cryst.</italic>
E
<bold>69</bold>
, m351–m352].</p>
</abstract>
<kwd-group>
<kwd>crystal structure</kwd>
<kwd>transition metal</kwd>
<kwd>2,5-bis­(pyridin-2-yl)-1,3,4-thia­diazole ligand</kwd>
<kwd>azide compounds</kwd>
<kwd>hydrogen bonding</kwd>
<kwd>π–π inter­actions</kwd>
</kwd-group>
</article-meta>
</front>
<floats-group>
<fig id="fig1" position="float">
<label>Figure 1</label>
<caption>
<p>The mol­ecular structure of the title compound with displacement ellipsoids drawn at the 50% probability level. H atoms are represented as spheres of arbitrary radius. [Symmetry code: (i) −
<italic>x</italic>
, −
<italic>y</italic>
, −
<italic>z</italic>
.]</p>
</caption>
<graphic xlink:href="e-71-00452-fig1"></graphic>
</fig>
<fig id="fig2" position="float">
<label>Figure 2</label>
<caption>
<p>Partial crystal packing of the title compound, showing inter­molecular π–π inter­actions between pyridine rings (dashed green lines) and inter­molecular C—H⋯N hydrogen bonds (dashed blue lines).</p>
</caption>
<graphic xlink:href="e-71-00452-fig2"></graphic>
</fig>
<table-wrap id="table1" position="float">
<label>Table 1</label>
<caption>
<title>Hydrogen-bond geometry (, )</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 rowspan="1" colspan="1" align="left" valign="top">C2H2N6
<sup>i</sup>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.93</td>
<td rowspan="1" colspan="1" align="left" valign="top">2.59</td>
<td rowspan="1" colspan="1" align="left" valign="top">3.432(3)</td>
<td rowspan="1" colspan="1" align="left" valign="top">151</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">C11H11N7
<sup>ii</sup>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.93</td>
<td rowspan="1" colspan="1" align="left" valign="top">2.60</td>
<td rowspan="1" colspan="1" align="left" valign="top">3.528(3)</td>
<td rowspan="1" colspan="1" align="left" valign="top">173</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">C10H10N1
<sup>iii</sup>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.93</td>
<td rowspan="1" colspan="1" align="left" valign="top">2.63</td>
<td rowspan="1" colspan="1" align="left" valign="top">3.438(2)</td>
<td rowspan="1" colspan="1" align="left" valign="top">146</td>
</tr>
</tbody>
</table>
<table-wrap-foot>
<p>Symmetry codes: (i)
<inline-formula>
<inline-graphic xlink:href="e-71-00452-efi2.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (ii)
<inline-formula>
<inline-graphic xlink:href="e-71-00452-efi3.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (iii)
<inline-formula>
<inline-graphic xlink:href="e-71-00452-efi4.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
.</p>
</table-wrap-foot>
</table-wrap>
<table-wrap id="table2" position="float">
<label>Table 2</label>
<caption>
<title>Experimental details</title>
</caption>
<table frame="hsides" rules="groups">
<tbody valign="top">
<tr>
<td rowspan="1" colspan="2" align="left" valign="top">Crystal data</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">Chemical formula</td>
<td rowspan="1" colspan="1" align="left" valign="top">[Co(N
<sub>3</sub>
)
<sub>2</sub>
(C
<sub>12</sub>
H
<sub>8</sub>
N
<sub>4</sub>
S)
<sub>2</sub>
]</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">
<italic>M</italic>
<sub>r</sub>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">623.56</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">Crystal system, space group</td>
<td rowspan="1" colspan="1" align="left" valign="top">Monoclinic,
<italic>P</italic>
2
<sub>1</sub>
/
<italic>c</italic>
</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">Temperature (K)</td>
<td rowspan="1" colspan="1" align="left" valign="top">296</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">
<italic>a</italic>
,
<italic>b</italic>
,
<italic>c</italic>
()</td>
<td rowspan="1" colspan="1" align="left" valign="top">7.8004(3), 8.2439(3), 20.3222(8)</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top"> ()</td>
<td rowspan="1" colspan="1" align="left" valign="top">92.910(2)</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">
<italic>V</italic>
(
<sup>3</sup>
)</td>
<td rowspan="1" colspan="1" align="left" valign="top">1305.15(9)</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">
<italic>Z</italic>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">2</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">Radiation type</td>
<td rowspan="1" colspan="1" align="left" valign="top">Mo
<italic>K</italic>
</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top"> (mm
<sup>1</sup>
)</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.86</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">Crystal size (mm)</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.39 0.31 0.18</td>
</tr>
<tr>
<td rowspan="1" colspan="2" align="left" valign="top"> </td>
</tr>
<tr>
<td rowspan="1" colspan="2" align="left" valign="top">Data collection</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">Diffractometer</td>
<td rowspan="1" colspan="1" align="left" valign="top">Bruker APEXII CCD</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">Absorption correction</td>
<td rowspan="1" colspan="1" align="left" valign="top">Multi-scan (
<italic>SADABS</italic>
; Bruker, 2009
<xref ref-type="bibr" rid="bb5"></xref>
)</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">
<italic>T</italic>
<sub>min</sub>
,
<italic>T</italic>
<sub>max</sub>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.640, 0.747</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">No. of measured, independent and observed [
<italic>I</italic>
> 2(
<italic>I</italic>
)] reflections</td>
<td rowspan="1" colspan="1" align="left" valign="top">27415, 3667, 2884</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">
<italic>R</italic>
<sub>int</sub>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.043</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">(sin /)
<sub>max</sub>
(
<sup>1</sup>
)</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.694</td>
</tr>
<tr>
<td rowspan="1" colspan="2" align="left" valign="top"> </td>
</tr>
<tr>
<td rowspan="1" colspan="2" align="left" valign="top">Refinement</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">
<italic>R</italic>
[
<italic>F</italic>
<sup>2</sup>
> 2(
<italic>F</italic>
<sup>2</sup>
)],
<italic>wR</italic>
(
<italic>F</italic>
<sup>2</sup>
),
<italic>S</italic>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.035, 0.088, 1.03</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">No. of reflections</td>
<td rowspan="1" colspan="1" align="left" valign="top">3667</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">No. of parameters</td>
<td rowspan="1" colspan="1" align="left" valign="top">187</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">H-atom treatment</td>
<td rowspan="1" colspan="1" align="left" valign="top">H-atom parameters constrained</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">
<sub>max</sub>
,
<sub>min</sub>
(e
<sup>3</sup>
)</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.70, 0.26</td>
</tr>
</tbody>
</table>
<table-wrap-foot>
<p>Computer programs:
<italic>APEX2</italic>
and
<italic>SAINT</italic>
(Bruker, 2009
<xref ref-type="bibr" rid="bb5"></xref>
),
<italic>SHELXS97</italic>
and
<italic>SHELXL97</italic>
(Sheldrick, 2008
<xref ref-type="bibr" rid="bb13"></xref>
),
<italic>ORTEP-3 for Windows</italic>
and
<italic>WinGX</italic>
(Farrugia, 2012
<xref ref-type="bibr" rid="bb6"></xref>
).</p>
</table-wrap-foot>
</table-wrap>
</floats-group>
</pmc>
</record>

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