CobaltMaghrebV1, Pmc, Checkpoint, bibRecord, 000258

Chlorido(pyridine-κN)(5,10,15,20-tetraphenylporphyrinato-κ4N)cobalt(III) chloroform hemisolvate

Identifieur interne : 000258 ( Pmc/Checkpoint ); précédent : 000257; suivant : 000259

Chlorido(pyridine-κN)(5,10,15,20-tetraphenylporphyrinato-κ4N)cobalt(III) chloroform hemisolvate

Auteurs : Yassin Belghith [Tunisie] ; Jean-Claude Daran [France] ; Habib Nasri [Tunisie]

Source :

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

RBID : PMC:3414153

Abstract

In the title complex, [CoCl(C₄₄H₂₈N₄)(C₅H₅N)]·0.5CHCl₃ or [Co^III(TPP)Cl(py)]·0.5CHCl₃ (where TPP is the dianion of tetraphenylporphyrin and py is pyridine), the average equatorial cobalt–pyrrole N atom bond length (Co—N_p) is 1.958 (7) Å and the axial Co—Cl and Co—N_py distances are 2.2339 (6) and 1.9898 (17) Å, respectively. The tetraphenylporphyrinate dianion exhibits an important nonplanar conformation with major ruffling and saddling distortions. In the crystal, molecules are linked via weak C—H⋯π interactions. In the difference Fourier map, a region of highly disordered electron density was estimated using the SQUEEZE routine [PLATON; Spek (2009 ▶), Acta Cryst. D65, 148–155] to be equivalent to one half-molecule of CHCl₃ per molecule of the complex.

Url:

http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414153

DOI: 10.1107/S1600536812032564
PubMed: 22904760
PubMed Central: 3414153

Affiliations:

France, Tunisie

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Le document en format XML

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)(5,10,15,20-tetraphenylporphyrinato-κ<sup>4</sup>
<italic>N</italic>
)cobalt(III) chloroform hemisolvate</title>
<author><name sortKey="Belghith, Yassin" sort="Belghith, Yassin" uniqKey="Belghith Y" first="Yassin" last="Belghith">Yassin Belghith</name>
<affiliation wicri:level="1"><nlm:aff id="a">Département de Chimie, Faculté des Sciences de Monastir, Université de Monastir, Avenue de l’environnement, 5019 Monastir,<country>Tunisia</country>
</nlm:aff>
<country xml:lang="fr">Tunisie</country>
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<author><name sortKey="Daran, Jean Claude" sort="Daran, Jean Claude" uniqKey="Daran J" first="Jean-Claude" last="Daran">Jean-Claude Daran</name>
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</nlm:aff>
<country xml:lang="fr">France</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Nasri, Habib" sort="Nasri, Habib" uniqKey="Nasri H" first="Habib" last="Nasri">Habib Nasri</name>
<affiliation wicri:level="1"><nlm:aff id="a">Département de Chimie, Faculté des Sciences de Monastir, Université de Monastir, Avenue de l’environnement, 5019 Monastir,<country>Tunisia</country>
</nlm:aff>
<country xml:lang="fr">Tunisie</country>
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<sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">Chlorido(pyridine-κ<italic>N</italic>
)(5,10,15,20-tetraphenylporphyrinato-κ<sup>4</sup>
<italic>N</italic>
)cobalt(III) chloroform hemisolvate</title>
<author><name sortKey="Belghith, Yassin" sort="Belghith, Yassin" uniqKey="Belghith Y" first="Yassin" last="Belghith">Yassin Belghith</name>
<affiliation wicri:level="1"><nlm:aff id="a">Département de Chimie, Faculté des Sciences de Monastir, Université de Monastir, Avenue de l’environnement, 5019 Monastir,<country>Tunisia</country>
</nlm:aff>
<country xml:lang="fr">Tunisie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
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<author><name sortKey="Daran, Jean Claude" sort="Daran, Jean Claude" uniqKey="Daran J" first="Jean-Claude" last="Daran">Jean-Claude Daran</name>
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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="Nasri, Habib" sort="Nasri, Habib" uniqKey="Nasri H" first="Habib" last="Nasri">Habib Nasri</name>
<affiliation wicri:level="1"><nlm:aff id="a">Département de Chimie, Faculté des Sciences de Monastir, Université de Monastir, Avenue de l’environnement, 5019 Monastir,<country>Tunisia</country>
</nlm:aff>
<country xml:lang="fr">Tunisie</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>
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<front><div type="abstract" xml:lang="en"><p>In the title complex, [CoCl(C<sub>44</sub>
H<sub>28</sub>
N<sub>4</sub>
)(C<sub>5</sub>
H<sub>5</sub>
N)]·0.5CHCl<sub>3</sub>
 or [Co<sup>III</sup>
(TPP)Cl(py)]·0.5CHCl<sub>3</sub>
 (where TPP is the dianion of tetraphenylporphyrin and py is pyridine), the average equatorial cobalt–pyrrole N atom bond length (Co—N<sub>p</sub>
) is 1.958 (7) Å and the axial Co—Cl and Co—N<sub>py</sub>
 distances are 2.2339 (6) and 1.9898 (17) Å, respectively. The tetraphenylporphyrinate dianion exhibits an important nonplanar conformation with major ruffling and saddling distortions. In the crystal, molecules are linked <italic>via</italic>
 weak C—H⋯π interactions. In the difference Fourier map, a region of highly disordered electron density was estimated using the SQUEEZE routine [<italic>PLATON</italic>
; Spek (2009<xref ref-type="bibr" rid="bb20"> ▶</xref>
), <italic>Acta Cryst.</italic>
 D<bold>65</bold>
, 148–155] to be equivalent to one half-molecule of CHCl<sub>3</sub>
 per molecule of the complex.</p>
</div>
</front>
<back><div1 type="bibliography"><listBibl><biblStruct></biblStruct>
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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="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">22904760</article-id>
<article-id pub-id-type="pmc">3414153</article-id>
<article-id pub-id-type="publisher-id">su2453</article-id>
<article-id pub-id-type="doi">10.1107/S1600536812032564</article-id>
<article-id pub-id-type="coden">ACSEBH</article-id>
<article-id pub-id-type="pii">S1600536812032564</article-id>
<article-categories><subj-group subj-group-type="heading"><subject>Metal-Organic Papers</subject>
</subj-group>
</article-categories>
<title-group><article-title>Chlorido(pyridine-κ<italic>N</italic>
)(5,10,15,20-tetraphenylporphyrinato-κ<sup>4</sup>
<italic>N</italic>
)cobalt(III) chloroform hemisolvate</article-title>
<alt-title><italic>[CoCl(C<sub>44</sub>
H<sub>28</sub>
N<sub>4</sub>
)(C<sub>5</sub>
H<sub>5</sub>
N)]·0.5CHCl<sub>3</sub>
</italic>
</alt-title>
</title-group>
<contrib-group><contrib contrib-type="author"><name><surname>Belghith</surname>
<given-names>Yassin</given-names>
</name>
<xref ref-type="aff" rid="a">a</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Daran</surname>
<given-names>Jean-Claude</given-names>
</name>
<xref ref-type="aff" rid="b">b</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Nasri</surname>
<given-names>Habib</given-names>
</name>
<xref ref-type="aff" rid="a">a</xref>
<xref ref-type="corresp" rid="cor">*</xref>
</contrib>
<aff id="a"><label>a</label>
Département de Chimie, Faculté des Sciences de Monastir, Université de Monastir, Avenue de l’environnement, 5019 Monastir,<country>Tunisia</country>
</aff>
<aff id="b"><label>b</label>
Laboratoire de Chimie de Coordination, CNRS UPR 8241, 205 route de Norbonne, 31077 Toulouse, Cedex 04,<country>France</country>
</aff>
</contrib-group>
<author-notes><corresp id="cor">Correspondence e-mail: <email>hnasri1@gmail.com</email>
</corresp>
</author-notes>
<pub-date pub-type="collection"><day>01</day>
<month>8</month>
<year>2012</year>
</pub-date>
<pub-date pub-type="epub"><day>25</day>
<month>7</month>
<year>2012</year>
</pub-date>
<pub-date pub-type="pmc-release"><day>25</day>
<month>7</month>
<year>2012</year>
</pub-date>
<pmc-comment> PMC Release delay is 0 months and 0 days and was based on the 
 							. </pmc-comment>
      <volume>68</volume>
<issue>Pt 8</issue>
<issue-id pub-id-type="publisher-id">e120800</issue-id>
<fpage>m1104</fpage>
<lpage>m1105</lpage>
<history><date date-type="received"><day>08</day>
<month>6</month>
<year>2012</year>
</date>
<date date-type="accepted"><day>17</day>
<month>7</month>
<year>2012</year>
</date>
</history>
<permissions><copyright-statement>© Belghith et al. 2012</copyright-statement>
<copyright-year>2012</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/S1600536812032564">A full version of this article is available from Crystallography Journals Online.</self-uri>
<abstract><p>In the title complex, [CoCl(C<sub>44</sub>
H<sub>28</sub>
N<sub>4</sub>
)(C<sub>5</sub>
H<sub>5</sub>
N)]·0.5CHCl<sub>3</sub>
 or [Co<sup>III</sup>
(TPP)Cl(py)]·0.5CHCl<sub>3</sub>
 (where TPP is the dianion of tetraphenylporphyrin and py is pyridine), the average equatorial cobalt–pyrrole N atom bond length (Co—N<sub>p</sub>
) is 1.958 (7) Å and the axial Co—Cl and Co—N<sub>py</sub>
 distances are 2.2339 (6) and 1.9898 (17) Å, respectively. The tetraphenylporphyrinate dianion exhibits an important nonplanar conformation with major ruffling and saddling distortions. In the crystal, molecules are linked <italic>via</italic>
 weak C—H⋯π interactions. In the difference Fourier map, a region of highly disordered electron density was estimated using the SQUEEZE routine [<italic>PLATON</italic>
; Spek (2009<xref ref-type="bibr" rid="bb20"> ▶</xref>
), <italic>Acta Cryst.</italic>
 D<bold>65</bold>
, 148–155] to be equivalent to one half-molecule of CHCl<sub>3</sub>
 per molecule of the complex.</p>
</abstract>
</article-meta>
</front>
<floats-group><table-wrap id="table1" position="float"><label>Table 1</label>
<caption><title>Hydrogen-bond geometry (Å, °)</title>
<p><italic>Cg</italic>
2, <italic>Cg</italic>
3, <italic>Cg</italic>
6, <italic>Cg</italic>
9, <italic>Cg</italic>
11 and <italic>Cg</italic>
12 are the centroids of the N2/C6–C9, N3/C11–C14, Co/N1/C4–C6/N2, N5/C45–C49, C27–C32 and C33–C38 rings, respectively.</p>
</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">C24—H24⋯<italic>Cg</italic>
3<sup>i</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">2.79</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">3.543 (3)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">137</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C28—H28⋯<italic>Cg</italic>
9<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">2.79</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">3.735 (3)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">172</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C35—H35⋯<italic>Cg</italic>
2<sup>iii</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">2.87</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">3.736 (2)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">152</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C38—H38⋯<italic>Cg</italic>
11<sup>iv</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">2.98</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">3.861 (3)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">156</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C42—H42⋯<italic>Cg</italic>
12<sup>v</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">2.75</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">3.574 (3)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">146</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C49—H49⋯<italic>Cg</italic>
6</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.95</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.35</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.931 (3)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">119</td>
</tr>
</tbody>
</table>
<table-wrap-foot><p>Symmetry codes: (i) <inline-formula><inline-graphic xlink:href="e-68-m1104-efi3.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (ii) <inline-formula><inline-graphic xlink:href="e-68-m1104-efi4.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (iii) <inline-formula><inline-graphic xlink:href="e-68-m1104-efi5.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (iv) <inline-formula><inline-graphic xlink:href="e-68-m1104-efi6.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (v) <inline-formula><inline-graphic xlink:href="e-68-m1104-efi7.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>Tunisie</li>
</country>
</list>
<tree><country name="Tunisie"><noRegion><name sortKey="Belghith, Yassin" sort="Belghith, Yassin" uniqKey="Belghith Y" first="Yassin" last="Belghith">Yassin Belghith</name>
</noRegion>
<name sortKey="Nasri, Habib" sort="Nasri, Habib" uniqKey="Nasri H" first="Habib" last="Nasri">Habib Nasri</name>
</country>
<country name="France"><noRegion><name sortKey="Daran, Jean Claude" sort="Daran, Jean Claude" uniqKey="Daran J" first="Jean-Claude" last="Daran">Jean-Claude Daran</name>
</noRegion>
</country>
</tree>
</affiliations>
</record>

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Chlorido(pyridine-κN)(5,10,15,20-tetra­phenyl­porphyrinato-κ4N)cobalt(III) chloro­form hemisolvate

Chlorido(pyridine-κN)(5,10,15,20-tetra­phenyl­porphyrinato-κ4N)cobalt(III) chloro­form hemisolvate

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Chlorido(pyridine-κN)(5,10,15,20-tetraphenylporphyrinato-κ4N)cobalt(III) chloroform hemisolvate

Chlorido(pyridine-κN)(5,10,15,20-tetraphenylporphyrinato-κ4N)cobalt(III) chloroform hemisolvate