CobaltMaghrebV1, Pmc, Curation, bibRecord, 000048

Crystal structure of cis-tetraaquadichloridocobalt(II) sulfolane disolvate

Identifieur interne : 000048 ( Pmc/Curation ); précédent : 000047; suivant : 000049

Crystal structure of cis-tetraaquadichloridocobalt(II) sulfolane disolvate

Auteurs : Mhamed Boudraa [Algérie] ; Sofiane Bouacida [Algérie] ; Hasna Bouchareb [Algérie] ; Hocine Merazig [Algérie] ; El Hossain Chtoun [Maroc]

Source :

Acta Crystallographica Section E: Crystallographic Communications [ 2056-9890 ] ; 2015.

RBID : PMC:4384590

Abstract

In the title compound, [CoCl₂(H₂O)₄]·2C₄H₈SO₂, the Co^II cation is located on the twofold rotation axis and is coordinated by four water molecules and two adjacent chloride ligands in a slightly distorted octahedral coordination environment. The cisoid angles are in the range 83.27 (5)–99.66 (2)°. The three transoid angles deviate significantly from the ideal linear angle. The crystal packing can be described as a linear arrangement of complex units along c formed by bifurcated O—H⋯Cl hydrogen bonds between two water molecules from one complex unit towards one chloride ligand of the neighbouring complex. Two solvent molecules per complex are attached to this infinite chain via O—H⋯O hydrogen bonds in which water molecules act as the hydrogen-bond donor and sulfolane O atoms as the hydrogen-bond acceptor sites.

Url:

http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4384590

DOI: 10.1107/S2056989014027753
PubMed: 25878832
PubMed Central: 4384590

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

to stream Pmc, to step Corpus: Pour aller vers cette notice dans l'étape Curation :000048

Links to Exploration step

PMC:4384590

Le document en format XML

<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Crystal structure of <italic>cis</italic>
-tetraaquadichloridocobalt(II) sulfolane disolvate</title>
<author><name sortKey="Boudraa, Mhamed" sort="Boudraa, Mhamed" uniqKey="Boudraa M" first="Mhamed" last="Boudraa">Mhamed Boudraa</name>
<affiliation wicri:level="1"><nlm:aff id="a">Unité de Recherche de Chimie de l’Environnement et Moléculaire Structurale, CHEMS, Université Constantine 1, 25000 ,<country>Algeria</country>
</nlm:aff>
<country xml:lang="fr">Algérie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Bouacida, Sofiane" sort="Bouacida, Sofiane" uniqKey="Bouacida S" first="Sofiane" last="Bouacida">Sofiane Bouacida</name>
<affiliation wicri:level="1"><nlm:aff id="a">Unité de Recherche de Chimie de l’Environnement et Moléculaire Structurale, CHEMS, Université Constantine 1, 25000 ,<country>Algeria</country>
</nlm:aff>
<country xml:lang="fr">Algérie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
<affiliation wicri:level="1"><nlm:aff id="b">Département Sciences de la Matière, Faculté des Sciences Exactes et Sciences de la Nature et de la Vie, Université Oum El Bouaghi,<country>Algeria</country>
</nlm:aff>
<country xml:lang="fr">Algérie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Bouchareb, Hasna" sort="Bouchareb, Hasna" uniqKey="Bouchareb H" first="Hasna" last="Bouchareb">Hasna Bouchareb</name>
<affiliation wicri:level="1"><nlm:aff id="a">Unité de Recherche de Chimie de l’Environnement et Moléculaire Structurale, CHEMS, Université Constantine 1, 25000 ,<country>Algeria</country>
</nlm:aff>
<country xml:lang="fr">Algérie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Merazig, Hocine" sort="Merazig, Hocine" uniqKey="Merazig H" first="Hocine" last="Merazig">Hocine Merazig</name>
<affiliation wicri:level="1"><nlm:aff id="a">Unité de Recherche de Chimie de l’Environnement et Moléculaire Structurale, CHEMS, Université Constantine 1, 25000 ,<country>Algeria</country>
</nlm:aff>
<country xml:lang="fr">Algérie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Chtoun, El Hossain" sort="Chtoun, El Hossain" uniqKey="Chtoun E" first="El Hossain" last="Chtoun">El Hossain Chtoun</name>
<affiliation wicri:level="1"><nlm:aff id="c">Université Abdelmalek Essaadi, Faculté des Sciences, BP 2121 M’Hannech II, 93002 Tétouan,<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">25878832</idno>
<idno type="pmc">4384590</idno>
<idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4384590</idno>
<idno type="RBID">PMC:4384590</idno>
<idno type="doi">10.1107/S2056989014027753</idno>
<date when="2015">2015</date>
<idno type="wicri:Area/Pmc/Corpus">000048</idno>
<idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Corpus" wicri:corpus="PMC">000048</idno>
<idno type="wicri:Area/Pmc/Curation">000048</idno>
<idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Curation">000048</idno>
</publicationStmt>
<sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">Crystal structure of <italic>cis</italic>
-tetraaquadichloridocobalt(II) sulfolane disolvate</title>
<author><name sortKey="Boudraa, Mhamed" sort="Boudraa, Mhamed" uniqKey="Boudraa M" first="Mhamed" last="Boudraa">Mhamed Boudraa</name>
<affiliation wicri:level="1"><nlm:aff id="a">Unité de Recherche de Chimie de l’Environnement et Moléculaire Structurale, CHEMS, Université Constantine 1, 25000 ,<country>Algeria</country>
</nlm:aff>
<country xml:lang="fr">Algérie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Bouacida, Sofiane" sort="Bouacida, Sofiane" uniqKey="Bouacida S" first="Sofiane" last="Bouacida">Sofiane Bouacida</name>
<affiliation wicri:level="1"><nlm:aff id="a">Unité de Recherche de Chimie de l’Environnement et Moléculaire Structurale, CHEMS, Université Constantine 1, 25000 ,<country>Algeria</country>
</nlm:aff>
<country xml:lang="fr">Algérie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
<affiliation wicri:level="1"><nlm:aff id="b">Département Sciences de la Matière, Faculté des Sciences Exactes et Sciences de la Nature et de la Vie, Université Oum El Bouaghi,<country>Algeria</country>
</nlm:aff>
<country xml:lang="fr">Algérie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Bouchareb, Hasna" sort="Bouchareb, Hasna" uniqKey="Bouchareb H" first="Hasna" last="Bouchareb">Hasna Bouchareb</name>
<affiliation wicri:level="1"><nlm:aff id="a">Unité de Recherche de Chimie de l’Environnement et Moléculaire Structurale, CHEMS, Université Constantine 1, 25000 ,<country>Algeria</country>
</nlm:aff>
<country xml:lang="fr">Algérie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Merazig, Hocine" sort="Merazig, Hocine" uniqKey="Merazig H" first="Hocine" last="Merazig">Hocine Merazig</name>
<affiliation wicri:level="1"><nlm:aff id="a">Unité de Recherche de Chimie de l’Environnement et Moléculaire Structurale, CHEMS, Université Constantine 1, 25000 ,<country>Algeria</country>
</nlm:aff>
<country xml:lang="fr">Algérie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Chtoun, El Hossain" sort="Chtoun, El Hossain" uniqKey="Chtoun E" first="El Hossain" last="Chtoun">El Hossain Chtoun</name>
<affiliation wicri:level="1"><nlm:aff id="c">Université Abdelmalek Essaadi, Faculté des Sciences, BP 2121 M’Hannech II, 93002 Tétouan,<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: 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 title compound, [CoCl<sub>2</sub>
(H<sub>2</sub>
O)<sub>4</sub>
]·2C<sub>4</sub>
H<sub>8</sub>
SO<sub>2</sub>
, the Co<sup>II</sup>
 cation is located on the twofold rotation axis and is coordinated by four water molecules and two adjacent chloride ligands in a slightly distorted octahedral coordination environment. The <italic>cisoid</italic>
 angles are in the range 83.27 (5)–99.66 (2)°. The three <italic>transoid</italic>
 angles deviate significantly from the ideal linear angle. The crystal packing can be described as a linear arrangement of complex units along <italic>c</italic>
 formed by bifurcated O—H⋯Cl hydrogen bonds between two water molecules from one complex unit towards one chloride ligand of the neighbouring complex. Two solvent molecules per complex are attached to this infinite chain <italic>via</italic>
 O—H⋯O hydrogen bonds in which water molecules act as the hydrogen-bond donor and sulfolane O atoms as the hydrogen-bond acceptor sites.</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>
</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">25878832</article-id>
<article-id pub-id-type="pmc">4384590</article-id>
<article-id pub-id-type="publisher-id">im2458</article-id>
<article-id pub-id-type="doi">10.1107/S2056989014027753</article-id>
<article-id pub-id-type="coden">ACSECI</article-id>
<article-id pub-id-type="pii">S2056989014027753</article-id>
<article-categories><subj-group subj-group-type="heading"><subject>Data Reports</subject>
</subj-group>
</article-categories>
<title-group><article-title>Crystal structure of <italic>cis</italic>
-tetraaquadichloridocobalt(II) sulfolane disolvate</article-title>
<alt-title><italic>[CoCl<sub>2</sub>
(H<sub>2</sub>
O)<sub>4</sub>
]·2C<sub>4</sub>
H<sub>8</sub>
O<sub>2</sub>
S</italic>
</alt-title>
</title-group>
<contrib-group><contrib contrib-type="author"><name><surname>Boudraa</surname>
<given-names>Mhamed</given-names>
</name>
<xref ref-type="aff" rid="a">a</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Bouacida</surname>
<given-names>Sofiane</given-names>
</name>
<xref ref-type="aff" rid="a">a</xref>
<xref ref-type="aff" rid="b">b</xref>
<xref ref-type="corresp" rid="cor">*</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Bouchareb</surname>
<given-names>Hasna</given-names>
</name>
<xref ref-type="aff" rid="a">a</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Merazig</surname>
<given-names>Hocine</given-names>
</name>
<xref ref-type="aff" rid="a">a</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Chtoun</surname>
<given-names>El Hossain</given-names>
</name>
<xref ref-type="aff" rid="c">c</xref>
</contrib>
<aff id="a"><label>a</label>
Unité de Recherche de Chimie de l’Environnement et Moléculaire Structurale, CHEMS, Université Constantine 1, 25000 ,<country>Algeria</country>
</aff>
<aff id="b"><label>b</label>
Département Sciences de la Matière, Faculté des Sciences Exactes et Sciences de la Nature et de la Vie, Université Oum El Bouaghi,<country>Algeria</country>
</aff>
<aff id="c"><label>c</label>
Université Abdelmalek Essaadi, Faculté des Sciences, BP 2121 M’Hannech II, 93002 Tétouan,<country>Morocco</country>
</aff>
</contrib-group>
<author-notes><corresp id="cor">Correspondence e-mail: <email>bouacida_sofiane@yahoo.fr</email>
</corresp>
</author-notes>
<pub-date pub-type="collection"><day>01</day>
<month>2</month>
<year>2015</year>
</pub-date>
<pub-date pub-type="epub"><day>03</day>
<month>1</month>
<year>2015</year>
</pub-date>
<pub-date pub-type="pmc-release"><day>03</day>
<month>1</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 2</issue>
<issue-id pub-id-type="publisher-id">e150200</issue-id>
<fpage>m16</fpage>
<lpage>m17</lpage>
<history><date date-type="received"><day>07</day>
<month>12</month>
<year>2014</year>
</date>
<date date-type="accepted"><day>19</day>
<month>12</month>
<year>2014</year>
</date>
</history>
<permissions><copyright-statement>© Boudraa 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/S2056989014027753">A full version of this article is available from Crystallography Journals Online.</self-uri>
<abstract><p>In the title compound, [CoCl<sub>2</sub>
(H<sub>2</sub>
O)<sub>4</sub>
]·2C<sub>4</sub>
H<sub>8</sub>
SO<sub>2</sub>
, the Co<sup>II</sup>
 cation is located on the twofold rotation axis and is coordinated by four water molecules and two adjacent chloride ligands in a slightly distorted octahedral coordination environment. The <italic>cisoid</italic>
 angles are in the range 83.27 (5)–99.66 (2)°. The three <italic>transoid</italic>
 angles deviate significantly from the ideal linear angle. The crystal packing can be described as a linear arrangement of complex units along <italic>c</italic>
 formed by bifurcated O—H⋯Cl hydrogen bonds between two water molecules from one complex unit towards one chloride ligand of the neighbouring complex. Two solvent molecules per complex are attached to this infinite chain <italic>via</italic>
 O—H⋯O hydrogen bonds in which water molecules act as the hydrogen-bond donor and sulfolane O atoms as the hydrogen-bond acceptor sites.</p>
</abstract>
<kwd-group><kwd>crystal structure</kwd>
<kwd>cobalt(II) complex</kwd>
<kwd>sulfolane solvate</kwd>
</kwd-group>
</article-meta>
</front>
<floats-group><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 style="" rowspan="1" colspan="1" align="left" valign="top">O1<italic>W</italic>
H1<italic>W</italic>
Cl1<sup>i</sup>
</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.77(3)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.44(3)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">3.1885(15)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">165(3)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O1<italic>W</italic>
H2<italic>W</italic>
O11</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.81(2)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">1.99(2)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.782(2)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">165(2)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O2<italic>W</italic>
H3<italic>W</italic>
Cl1<sup>ii</sup>
</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.83(2)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.41(2)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">3.2289(16)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">171(2)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O2<italic>W</italic>
H4<italic>W</italic>
O12</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.79(3)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.05(3)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.835(2)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">174(3)</td>
</tr>
</tbody>
</table>
<table-wrap-foot><p>Symmetry codes: (i) <inline-formula><inline-graphic xlink:href="e-71-00m16-efi2.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (ii) <inline-formula><inline-graphic xlink:href="e-71-00m16-efi3.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
.</p>
</table-wrap-foot>
</table-wrap>
</floats-group>
</pmc>
</record>

Pour manipuler ce document sous Unix (Dilib)

EXPLOR_STEP=$WICRI_ROOT/Wicri/Terre/explor/CobaltMaghrebV1/Data/Pmc/Curation

HfdSelect -h $EXPLOR_STEP/biblio.hfd -nk 000048 | SxmlIndent | more

HfdSelect -h $EXPLOR_AREA/Data/Pmc/Curation/biblio.hfd -nk 000048 | SxmlIndent | more

Pour mettre un lien sur cette page dans le réseau Wicri

{{Explor lien
   |wiki=    Wicri/Terre
   |area=    CobaltMaghrebV1
   |flux=    Pmc
   |étape=   Curation
   |type=    RBID
   |clé=     PMC:4384590
   |texte=   Crystal structure of cis-tetraaquadichloridocobalt(II) sulfolane disolvate
}}

Pour générer des pages wiki

HfdIndexSelect -h $EXPLOR_AREA/Data/Pmc/Curation/RBID.i   -Sk "pubmed:25878832" \
       | HfdSelect -Kh $EXPLOR_AREA/Data/Pmc/Curation/biblio.hfd   \
       | NlmPubMed2Wicri -a CobaltMaghrebV1

This area was generated with Dilib version V0.6.32.
Data generation: Tue Nov 14 12:56:51 2017. Site generation: Mon Feb 12 07:59:49 2024

	Serveur d'exploration sur le cobalt 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 cobalt au Maghreb

Crystal structure of cis-tetra­aqua­dichlorido­cobalt(II) sulfolane disolvate

Crystal structure of cis-tetra­aqua­dichlorido­cobalt(II) sulfolane disolvate

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

Crystal structure of cis-tetraaquadichloridocobalt(II) sulfolane disolvate

Crystal structure of cis-tetraaquadichloridocobalt(II) sulfolane disolvate