MersV1, Pmc, Checkpoint, bibRecord, 001365

2-[2-(Methylsulfanyl)benzimidazol-1-yl]ethanol

Identifieur interne : 001365 ( Pmc/Checkpoint ); précédent : 001364; suivant : 001366

2-[2-(Methylsulfanyl)benzimidazol-1-yl]ethanol

Auteurs : Ludovic Akonan ; Kouassi Yves Guillaume Molou ; Adjo Adohi-Krou ; Akoun Abou ; Abodou Jules Tenon

Source :

Acta Crystallographica Section E: Structure Reports Online [ 1600-5368 ] ; 2010.

RBID : PMC:2979779

Abstract

In the title compound, C₁₀H₁₂N₂OS, the asymmetric unit consists of two independent molecules. In the crystal structure, molecules form R₄⁴(28) centrosymmetric tetramers via O—H⋯N hydrogen bonds. These tetramers are stacked along the c axis via C—H⋯O hydrogen bonds. C—H⋯π and π–π interactions are also present; in the latter, the centroid–centroid distances are 4.075 (1) and 3.719 (1) Å.

Url:

http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979779

DOI: 10.1107/S1600536810001960
PubMed: 21579857
PubMed Central: 2979779

Affiliations:

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PMC:2979779

Le document en format XML

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<author><name sortKey="Akonan, Ludovic" sort="Akonan, Ludovic" uniqKey="Akonan L" first="Ludovic" last="Akonan">Ludovic Akonan</name>
<affiliation><nlm:aff id="a">Laboratoire de Cristallographie et Physique Moléculaire, UFR SSMT, Université de Cocody 22 BP 582 Abidjan 22,<country>Côte d’Ivoire</country>
</nlm:aff>
<wicri:noCountry code="nlm country">Côte d’Ivoire</wicri:noCountry>
</affiliation>
</author>
<author><name sortKey="Molou, Kouassi Yves Guillaume" sort="Molou, Kouassi Yves Guillaume" uniqKey="Molou K" first="Kouassi Yves Guillaume" last="Molou">Kouassi Yves Guillaume Molou</name>
<affiliation><nlm:aff id="b">Laboratoire de Chimie Organique, UFR SSMT, Université de Cocody 22 BP 582 Abidjan 22,<country>Côte d’Ivoire</country>
</nlm:aff>
<wicri:noCountry code="nlm country">Côte d’Ivoire</wicri:noCountry>
</affiliation>
</author>
<author><name sortKey="Adohi Krou, Adjo" sort="Adohi Krou, Adjo" uniqKey="Adohi Krou A" first="Adjo" last="Adohi-Krou">Adjo Adohi-Krou</name>
<affiliation><nlm:aff id="a">Laboratoire de Cristallographie et Physique Moléculaire, UFR SSMT, Université de Cocody 22 BP 582 Abidjan 22,<country>Côte d’Ivoire</country>
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<wicri:noCountry code="nlm country">Côte d’Ivoire</wicri:noCountry>
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<author><name sortKey="Abou, Akoun" sort="Abou, Akoun" uniqKey="Abou A" first="Akoun" last="Abou">Akoun Abou</name>
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</nlm:aff>
<wicri:noCountry code="nlm country">Côte d’Ivoire</wicri:noCountry>
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<author><name sortKey="Tenon, Abodou Jules" sort="Tenon, Abodou Jules" uniqKey="Tenon A" first="Abodou Jules" last="Tenon">Abodou Jules Tenon</name>
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<sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">2-[2-(Methylsulfanyl)benzimidazol-1-yl]ethanol</title>
<author><name sortKey="Akonan, Ludovic" sort="Akonan, Ludovic" uniqKey="Akonan L" first="Ludovic" last="Akonan">Ludovic Akonan</name>
<affiliation><nlm:aff id="a">Laboratoire de Cristallographie et Physique Moléculaire, UFR SSMT, Université de Cocody 22 BP 582 Abidjan 22,<country>Côte d’Ivoire</country>
</nlm:aff>
<wicri:noCountry code="nlm country">Côte d’Ivoire</wicri:noCountry>
</affiliation>
</author>
<author><name sortKey="Molou, Kouassi Yves Guillaume" sort="Molou, Kouassi Yves Guillaume" uniqKey="Molou K" first="Kouassi Yves Guillaume" last="Molou">Kouassi Yves Guillaume Molou</name>
<affiliation><nlm:aff id="b">Laboratoire de Chimie Organique, UFR SSMT, Université de Cocody 22 BP 582 Abidjan 22,<country>Côte d’Ivoire</country>
</nlm:aff>
<wicri:noCountry code="nlm country">Côte d’Ivoire</wicri:noCountry>
</affiliation>
</author>
<author><name sortKey="Adohi Krou, Adjo" sort="Adohi Krou, Adjo" uniqKey="Adohi Krou A" first="Adjo" last="Adohi-Krou">Adjo Adohi-Krou</name>
<affiliation><nlm:aff id="a">Laboratoire de Cristallographie et Physique Moléculaire, UFR SSMT, Université de Cocody 22 BP 582 Abidjan 22,<country>Côte d’Ivoire</country>
</nlm:aff>
<wicri:noCountry code="nlm country">Côte d’Ivoire</wicri:noCountry>
</affiliation>
</author>
<author><name sortKey="Abou, Akoun" sort="Abou, Akoun" uniqKey="Abou A" first="Akoun" last="Abou">Akoun Abou</name>
<affiliation><nlm:aff id="a">Laboratoire de Cristallographie et Physique Moléculaire, UFR SSMT, Université de Cocody 22 BP 582 Abidjan 22,<country>Côte d’Ivoire</country>
</nlm:aff>
<wicri:noCountry code="nlm country">Côte d’Ivoire</wicri:noCountry>
</affiliation>
</author>
<author><name sortKey="Tenon, Abodou Jules" sort="Tenon, Abodou Jules" uniqKey="Tenon A" first="Abodou Jules" last="Tenon">Abodou Jules Tenon</name>
<affiliation><nlm:aff id="a">Laboratoire de Cristallographie et Physique Moléculaire, UFR SSMT, Université de Cocody 22 BP 582 Abidjan 22,<country>Côte d’Ivoire</country>
</nlm:aff>
<wicri:noCountry code="nlm country">Côte d’Ivoire</wicri:noCountry>
</affiliation>
</author>
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<series><title level="j">Acta Crystallographica Section E: Structure Reports Online</title>
<idno type="eISSN">1600-5368</idno>
<imprint><date when="2010">2010</date>
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<front><div type="abstract" xml:lang="en"><p>In the title compound, C<sub>10</sub>
H<sub>12</sub>
N<sub>2</sub>
OS, the asymmetric unit consists of two independent molecules. In the crystal structure, molecules form <italic>R</italic>
<sub>4</sub>
<sup>4</sup>
(28) centrosymmetric tetramers <italic>via</italic>
 O—H⋯N hydrogen bonds. These tetramers are stacked along the <italic>c</italic>
 axis <italic>via</italic>
 C—H⋯O hydrogen bonds. C—H⋯π and π–π interactions are also present; in the latter, the centroid–centroid distances are 4.075 (1) and 3.719 (1) Å.</p>
</div>
</front>
<back><div1 type="bibliography"><listBibl><biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
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</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">21579857</article-id>
<article-id pub-id-type="pmc">2979779</article-id>
<article-id pub-id-type="publisher-id">wn2372</article-id>
<article-id pub-id-type="doi">10.1107/S1600536810001960</article-id>
<article-id pub-id-type="coden">ACSEBH</article-id>
<article-id pub-id-type="pii">S1600536810001960</article-id>
<article-categories><subj-group subj-group-type="heading"><subject>Organic Papers</subject>
</subj-group>
</article-categories>
<title-group><article-title>2-[2-(Methylsulfanyl)benzimidazol-1-yl]ethanol</article-title>
<alt-title><italic>C<sub>10</sub>
H<sub>12</sub>
N<sub>2</sub>
OS</italic>
</alt-title>
</title-group>
<contrib-group><contrib contrib-type="author"><name><surname>Akonan</surname>
<given-names>Ludovic</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>Molou</surname>
<given-names>Kouassi Yves Guillaume</given-names>
</name>
<xref ref-type="aff" rid="b">b</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Adohi-Krou</surname>
<given-names>Adjo</given-names>
</name>
<xref ref-type="aff" rid="a">a</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Abou</surname>
<given-names>Akoun</given-names>
</name>
<xref ref-type="aff" rid="a">a</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Tenon</surname>
<given-names>Abodou Jules</given-names>
</name>
<xref ref-type="aff" rid="a">a</xref>
</contrib>
<aff id="a"><label>a</label>
Laboratoire de Cristallographie et Physique Moléculaire, UFR SSMT, Université de Cocody 22 BP 582 Abidjan 22,<country>Côte d’Ivoire</country>
</aff>
<aff id="b"><label>b</label>
Laboratoire de Chimie Organique, UFR SSMT, Université de Cocody 22 BP 582 Abidjan 22,<country>Côte d’Ivoire</country>
</aff>
</contrib-group>
<author-notes><corresp id="cor">Correspondence e-mail: <email>ludovic.akonan@gmail.com</email>
</corresp>
</author-notes>
<pub-date pub-type="collection"><day>01</day>
<month>2</month>
<year>2010</year>
</pub-date>
<pub-date pub-type="epub"><day>23</day>
<month>1</month>
<year>2010</year>
</pub-date>
<pub-date pub-type="pmc-release"><day>23</day>
<month>1</month>
<year>2010</year>
</pub-date>
<pmc-comment> PMC Release delay is 0 months and 0 days and was based on the 
 							. </pmc-comment>
      <volume>66</volume>
<issue>Pt 2</issue>
<issue-id pub-id-type="publisher-id">e100200</issue-id>
<fpage>o442</fpage>
<lpage>o442</lpage>
<history><date date-type="received"><day>17</day>
<month>12</month>
<year>2009</year>
</date>
<date date-type="accepted"><day>15</day>
<month>1</month>
<year>2010</year>
</date>
</history>
<permissions><copyright-statement>© Akonan et al. 2010</copyright-statement>
<copyright-year>2010</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/S1600536810001960">A full version of this article is available from Crystallography Journals Online.</self-uri>
<abstract><p>In the title compound, C<sub>10</sub>
H<sub>12</sub>
N<sub>2</sub>
OS, the asymmetric unit consists of two independent molecules. In the crystal structure, molecules form <italic>R</italic>
<sub>4</sub>
<sup>4</sup>
(28) centrosymmetric tetramers <italic>via</italic>
 O—H⋯N hydrogen bonds. These tetramers are stacked along the <italic>c</italic>
 axis <italic>via</italic>
 C—H⋯O hydrogen bonds. C—H⋯π and π–π interactions are also present; in the latter, the centroid–centroid distances are 4.075 (1) and 3.719 (1) Å.</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>
1 and <italic>Cg</italic>
2 are the centroids of the N1<italic>A</italic>
-C3<italic>A</italic>
-N2<italic>A</italic>
-C6<italic>A</italic>
-C5<italic>A</italic>
 and C5<italic>A</italic>
—C10<italic>A</italic>
 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">O1<italic>B</italic>
—H1<italic>B</italic>
⋯N2<italic>A</italic>
<sup>i</sup>
</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.95 (3)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">1.88 (3)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.825 (3)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">174 (3)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O1<italic>A</italic>
—H1<italic>A</italic>
⋯N2<italic>B</italic>
</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">1.01 (3)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">1.80 (3)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.808 (3)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">175 (3)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C4<italic>A</italic>
—H41<italic>A</italic>
⋯O1<italic>A</italic>
<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">2.42</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">3.366 (3)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">174</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C4<italic>A</italic>
—H43<italic>A</italic>
⋯<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">2.86</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">3.627 (2)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">139</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C4<italic>B</italic>
—H43<italic>B</italic>
⋯<italic>Cg</italic>
1</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.95</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.86</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">3.486 (2)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">125</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C10<italic>B</italic>
—H10<italic>B</italic>
⋯<italic>Cg</italic>
2<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">2.74</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">3.631 (2)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">157</td>
</tr>
</tbody>
</table>
<table-wrap-foot><p>Symmetry codes: (i) <inline-formula><inline-graphic xlink:href="e-66-0o442-efi2.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (ii) <inline-formula><inline-graphic xlink:href="e-66-0o442-efi3.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (iii) <inline-formula><inline-graphic xlink:href="e-66-0o442-efi4.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (iv) <inline-formula><inline-graphic xlink:href="e-66-0o442-efi5.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
.</p>
</table-wrap-foot>
</table-wrap>
</floats-group>
</pmc>
<affiliations><list></list>
<tree><noCountry><name sortKey="Abou, Akoun" sort="Abou, Akoun" uniqKey="Abou A" first="Akoun" last="Abou">Akoun Abou</name>
<name sortKey="Adohi Krou, Adjo" sort="Adohi Krou, Adjo" uniqKey="Adohi Krou A" first="Adjo" last="Adohi-Krou">Adjo Adohi-Krou</name>
<name sortKey="Akonan, Ludovic" sort="Akonan, Ludovic" uniqKey="Akonan L" first="Ludovic" last="Akonan">Ludovic Akonan</name>
<name sortKey="Molou, Kouassi Yves Guillaume" sort="Molou, Kouassi Yves Guillaume" uniqKey="Molou K" first="Kouassi Yves Guillaume" last="Molou">Kouassi Yves Guillaume Molou</name>
<name sortKey="Tenon, Abodou Jules" sort="Tenon, Abodou Jules" uniqKey="Tenon A" first="Abodou Jules" last="Tenon">Abodou Jules Tenon</name>
</noCountry>
</tree>
</affiliations>
</record>

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2-[2-(Methyl­sulfan­yl)benzimidazol-1-yl]ethanol

2-[2-(Methyl­sulfan­yl)benzimidazol-1-yl]ethanol

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2-[2-(Methylsulfanyl)benzimidazol-1-yl]ethanol

2-[2-(Methylsulfanyl)benzimidazol-1-yl]ethanol