Crystal structure of bis(2-amino-5-chloropyridinium) tetrachloridocobaltate(II)
Identifieur interne : 000050 ( Pmc/Curation ); précédent : 000049; suivant : 000051Crystal structure of bis(2-amino-5-chloropyridinium) tetrachloridocobaltate(II)
Auteurs : Marwa Mghandef [Tunisie] ; Habib Boughzala [Tunisie]Source :
- Acta Crystallographica Section E: Crystallographic Communications [ 2056-9890 ] ; 2015.
Abstract
In the structure of bis(2-amino-5-chloropyridinium) tetrachloridocobaltate(II), the essentially planar cations are connected through N—H⋯Cl hydrogen bonds to the tetrahedral anion.
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DOI: 10.1107/S2056989015007707
PubMed: 25995878
PubMed Central: 4420110
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<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Crystal structure of bis(2-amino-5-chloropyridinium) tetrachloridocobaltate(II)</title><author><name sortKey="Mghandef, Marwa" sort="Mghandef, Marwa" uniqKey="Mghandef M" first="Marwa" last="Mghandef">Marwa Mghandef</name><affiliation wicri:level="1"><nlm:aff id="a">Laboratoire de Matériaux et Cristallochimie, Faculté des Sciences de Tunis, Université de Tunis El Manar, 2092 Manar II Tunis,<country>Tunisia</country></nlm:aff><country xml:lang="fr">Tunisie</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Boughzala, Habib" sort="Boughzala, Habib" uniqKey="Boughzala H" first="Habib" last="Boughzala">Habib Boughzala</name><affiliation wicri:level="1"><nlm:aff id="a">Laboratoire de Matériaux et Cristallochimie, Faculté des Sciences de Tunis, Université de Tunis El Manar, 2092 Manar II Tunis,<country>Tunisia</country></nlm:aff><country xml:lang="fr">Tunisie</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">PMC</idno><idno type="pmid">25995878</idno><idno type="pmc">4420110</idno><idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420110</idno><idno type="RBID">PMC:4420110</idno><idno type="doi">10.1107/S2056989015007707</idno><date when="2015">2015</date><idno type="wicri:Area/Pmc/Corpus">000050</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Corpus" wicri:corpus="PMC">000050</idno><idno type="wicri:Area/Pmc/Curation">000050</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Curation">000050</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">Crystal structure of bis(2-amino-5-chloropyridinium) tetrachloridocobaltate(II)</title><author><name sortKey="Mghandef, Marwa" sort="Mghandef, Marwa" uniqKey="Mghandef M" first="Marwa" last="Mghandef">Marwa Mghandef</name><affiliation wicri:level="1"><nlm:aff id="a">Laboratoire de Matériaux et Cristallochimie, Faculté des Sciences de Tunis, Université de Tunis El Manar, 2092 Manar II Tunis,<country>Tunisia</country></nlm:aff><country xml:lang="fr">Tunisie</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Boughzala, Habib" sort="Boughzala, Habib" uniqKey="Boughzala H" first="Habib" last="Boughzala">Habib Boughzala</name><affiliation wicri:level="1"><nlm:aff id="a">Laboratoire de Matériaux et Cristallochimie, Faculté des Sciences de Tunis, Université de Tunis El Manar, 2092 Manar II Tunis,<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: Crystallographic Communications</title><idno type="eISSN">2056-9890</idno><imprint><date when="2015">2015</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en"><p>In the structure of bis(2-amino-5-chloropyridinium) tetrachloridocobaltate(II), the essentially planar cations are connected through N—H⋯Cl hydrogen bonds to the tetrahedral anion.</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><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 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">25995878</article-id><article-id pub-id-type="pmc">4420110</article-id><article-id pub-id-type="publisher-id">wm5146</article-id><article-id pub-id-type="doi">10.1107/S2056989015007707</article-id><article-id pub-id-type="coden">ACSECI</article-id><article-id pub-id-type="pii">S2056989015007707</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(2-amino-5-chloropyridinium) tetrachloridocobaltate(II)</article-title><alt-title><italic>(C<sub>5</sub>H<sub>6</sub>ClN<sub>2</sub>)<sub>2</sub>[CoCl<sub>4</sub>]</italic></alt-title></title-group><contrib-group><contrib contrib-type="author"><name><surname>Mghandef</surname><given-names>Marwa</given-names></name><xref ref-type="aff" rid="a">a</xref></contrib><contrib contrib-type="author"><name><surname>Boughzala</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>Laboratoire de Matériaux et Cristallochimie, Faculté des Sciences de Tunis, Université de Tunis El Manar, 2092 Manar II Tunis,<country>Tunisia</country></aff></contrib-group><author-notes><corresp id="cor">Correspondence e-mail: <email>habib.boughzala@ipein.rnu.tn</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>25</day><month>4</month><year>2015</year></pub-date><pub-date pub-type="pmc-release"><day>25</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
<volume>71</volume><issue>Pt 5</issue><issue-id pub-id-type="publisher-id">e150500</issue-id><fpage>555</fpage><lpage>557</lpage><history><date date-type="received"><day>11</day><month>4</month><year>2015</year></date><date date-type="accepted"><day>19</day><month>4</month><year>2015</year></date></history><permissions><copyright-statement>© Mghandef and Boughzala 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/S2056989015007707">A full version of this article is available from Crystallography Journals Online.</self-uri><abstract abstract-type="toc"><p>In the structure of bis(2-amino-5-chloropyridinium) tetrachloridocobaltate(II), the essentially planar cations are connected through N—H⋯Cl hydrogen bonds to the tetrahedral anion.</p></abstract><abstract><p>The title salt, (C<sub>5</sub>H<sub>6</sub>ClN<sub>2</sub>)<sub>2</sub>[CoCl<sub>4</sub>], was synthesized by slow evaporation of an aqueous solution at room temperature. The asymmetric unit consists of two essentially planar (C<sub>5</sub>H<sub>6</sub>ClN<sub>2</sub>)<sup>+</sup> cations [maximum deviations = 0.010 (3) and 0.014 (3) Å] that are nearly perpendicular to each other [dihedral angle = 84.12 (7)°]. They are bonded through N—H⋯Cl hydrogen bonds to distorted [CoCl<sub>4</sub>]<sup>2−</sup> tetrahedra, leading to the formation of undulating layers parallel to (100). The structure is isotypic with the Zn analogue [Kefi <italic>et. al</italic> (2011). <italic>Acta Cryst.</italic> E<bold>67</bold>, m355–m356.]</p></abstract><kwd-group><kwd>crystal structure</kwd><kwd>cobalt(II) complex</kwd><kwd>2-amino-5-chloropyridine</kwd><kwd>hydrogen bonding</kwd></kwd-group></article-meta></front><floats-group><fig id="fig1" position="float"><label>Figure 1</label><caption><p>The molecular entities of (C<sub>5</sub>H<sub>6</sub>ClN<sub>2</sub>)<sub>2</sub>[CoCl<sub>4</sub>], showing the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.</p></caption><graphic xlink:href="e-71-00555-fig1"></graphic></fig><fig id="fig2" position="float"><label>Figure 2</label><caption><p>The environment of the CoCl<sub>4</sub> tetrahedron.</p></caption><graphic xlink:href="e-71-00555-fig2"></graphic></fig><fig id="fig3" position="float"><label>Figure 3</label><caption><p>The environment around the cations (cat1 or cat2).</p></caption><graphic xlink:href="e-71-00555-fig3"></graphic></fig><fig id="fig4" position="float"><label>Figure 4</label><caption><p>Projection of the crystal structure along [010] showing the –cat1–[CoCl<sub>4</sub>]–cat2–[CoCl<sub>4</sub>]– sequence stacked along [100].</p></caption><graphic xlink:href="e-71-00555-fig4"></graphic></fig><fig id="fig5" position="float"><label>Figure 5</label><caption><p>Projection of the crystal structure along [001] showing the layered character of the hydrogen-bonded components.</p></caption><graphic xlink:href="e-71-00555-fig5"></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">N1H1<italic>A</italic>Cl4<sup>i</sup></td><td rowspan="1" colspan="1" align="left" valign="top">0.86</td><td rowspan="1" colspan="1" align="left" valign="top">2.64</td><td rowspan="1" colspan="1" align="left" valign="top">3.400(4)</td><td rowspan="1" colspan="1" align="left" valign="top">148</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">N1H1<italic>B</italic>Cl3<sup>ii</sup></td><td rowspan="1" colspan="1" align="left" valign="top">0.86</td><td rowspan="1" colspan="1" align="left" valign="top">2.47</td><td rowspan="1" colspan="1" align="left" valign="top">3.317(3)</td><td rowspan="1" colspan="1" align="left" valign="top">169</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">N2H<italic>N</italic>2Cl4<sup>i</sup></td><td rowspan="1" colspan="1" align="left" valign="top">0.86</td><td rowspan="1" colspan="1" align="left" valign="top">2.42</td><td rowspan="1" colspan="1" align="left" valign="top">3.238(3)</td><td rowspan="1" colspan="1" align="left" valign="top">160</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">N3H<italic>N</italic>3Cl1<sup>iii</sup></td><td rowspan="1" colspan="1" align="left" valign="top">0.86</td><td rowspan="1" colspan="1" align="left" valign="top">2.42</td><td rowspan="1" colspan="1" align="left" valign="top">3.251(3)</td><td rowspan="1" colspan="1" align="left" valign="top">164</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">N4H4<italic>A</italic>Cl1<sup>iii</sup></td><td rowspan="1" colspan="1" align="left" valign="top">0.86</td><td rowspan="1" colspan="1" align="left" valign="top">2.77</td><td rowspan="1" colspan="1" align="left" valign="top">3.519(4)</td><td rowspan="1" colspan="1" align="left" valign="top">147</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">N4H4<italic>B</italic>Cl2<sup>iv</sup></td><td rowspan="1" colspan="1" align="left" valign="top">0.86</td><td rowspan="1" colspan="1" align="left" valign="top">2.80</td><td rowspan="1" colspan="1" align="left" valign="top">3.541(4)</td><td rowspan="1" colspan="1" align="left" valign="top">145</td></tr></tbody></table><table-wrap-foot><p>Symmetry codes: (i) <inline-formula><inline-graphic xlink:href="e-71-00555-efi1.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>; (ii) <inline-formula><inline-graphic xlink:href="e-71-00555-efi2.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>; (iii) <inline-formula><inline-graphic xlink:href="e-71-00555-efi3.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>; (iv) <inline-formula><inline-graphic xlink:href="e-71-00555-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">(C<sub>5</sub>H<sub>6</sub>ClN<sub>2</sub>)<sub>2</sub>[CoCl<sub>4</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">459.87</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">298</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">13.519(2), 14.945(3), 8.725(2)</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top"> ()</td><td rowspan="1" colspan="1" align="left" valign="top">92.858(3)</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">1760.6(6)</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">4</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">1.88</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">0.5 0.3 0.2</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">EnrafNonius CAD-4</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">Absorption correction</td><td rowspan="1" colspan="1" align="left" valign="top"> scan (North <italic>et al.</italic>, 1968<xref ref-type="bibr" rid="bb13"> ▸</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">0.423, 0.649</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">6241, 3707, 2121</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">0.039</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">0.638</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">0.041, 0.109, 0.99</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">3707</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">190</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 not refined</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">0.52, 0.34</td></tr></tbody></table><table-wrap-foot><p>Computer programs: <italic>CAD-4 EXPRESS</italic> (EnrafNonius, 1994<xref ref-type="bibr" rid="bb5"> ▸</xref>), <italic>XCAD4</italic> (Harms Wocadlo, 1995<xref ref-type="bibr" rid="bb7"> ▸</xref>), <italic>SHELXS97</italic> and <italic>SHELXL97</italic> (Sheldrick, 2008<xref ref-type="bibr" rid="bb17"> ▸</xref>), <italic>DIAMOND</italic> (Brandenburg, 2008<xref ref-type="bibr" rid="bb1"> ▸</xref>) and <italic>publCIF</italic> (Westrip, 2010<xref ref-type="bibr" rid="bb18"> ▸</xref>).</p></table-wrap-foot></table-wrap></floats-group></pmc></record>Pour manipuler 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