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2-(5-Bromo-2-methyl­phen­yl)propan-2-ol

Identifieur interne : 001366 ( Pmc/Checkpoint ); précédent : 001365; suivant : 001367

2-(5-Bromo-2-methyl­phen­yl)propan-2-ol

Auteurs : Hui Zeng [République populaire de Chine] ; Xin-Lin Liu [République populaire de Chine]

Source :

RBID : PMC:3009192

Abstract

The title compound, C10H13BrO, crystallizes with four independent mol­ecules of similar geometry in the asymmetric unit. The crystal packing is stabilized by inter­molecular O—H⋯O hydrogen bonds, which link the mol­ecules into tetra­mers.


Url:
DOI: 10.1107/S1600536810042698
PubMed: 21589124
PubMed Central: 3009192


Affiliations:


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PMC:3009192

Le document en format XML

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<title xml:lang="en">2-(5-Bromo-2-methyl­phen­yl)propan-2-ol</title>
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<name sortKey="Zeng, Hui" sort="Zeng, Hui" uniqKey="Zeng H" first="Hui" last="Zeng">Hui Zeng</name>
<affiliation wicri:level="1">
<nlm:aff id="a">Department of Pathology, Chinese People’s Armed Police Corps Hospital of Qinghai Province, Xining 810000,
<country>People’s Republic of China</country>
</nlm:aff>
<country xml:lang="fr">République populaire de Chine</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
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<author>
<name sortKey="Liu, Xin Lin" sort="Liu, Xin Lin" uniqKey="Liu X" first="Xin-Lin" last="Liu">Xin-Lin Liu</name>
<affiliation wicri:level="1">
<nlm:aff id="b">Institute of Cardiovascular Disease, Pingjin Hospital, Medical College of Chinese People’s Armed Police Forces, Tianjin 300162,
<country>People’s Republic of China</country>
</nlm:aff>
<country xml:lang="fr">République populaire de Chine</country>
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<title xml:lang="en" level="a" type="main">2-(5-Bromo-2-methyl­phen­yl)propan-2-ol</title>
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<nlm:aff id="a">Department of Pathology, Chinese People’s Armed Police Corps Hospital of Qinghai Province, Xining 810000,
<country>People’s Republic of China</country>
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<country xml:lang="fr">République populaire de Chine</country>
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<name sortKey="Liu, Xin Lin" sort="Liu, Xin Lin" uniqKey="Liu X" first="Xin-Lin" last="Liu">Xin-Lin Liu</name>
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<p>The title compound, C
<sub>10</sub>
H
<sub>13</sub>
BrO, crystallizes with four independent mol­ecules of similar geometry in the asymmetric unit. The crystal packing is stabilized by inter­molecular O—H⋯O hydrogen bonds, which link the mol­ecules into tetra­mers.</p>
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<journal-id journal-id-type="nlm-ta">Acta Crystallogr Sect E Struct Rep Online</journal-id>
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<journal-title>Acta Crystallographica Section E: Structure Reports Online</journal-title>
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<subject>Organic Papers</subject>
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<title-group>
<article-title>2-(5-Bromo-2-methyl­phen­yl)propan-2-ol</article-title>
<alt-title>
<italic>C
<sub>10</sub>
H
<sub>13</sub>
BrO</italic>
</alt-title>
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<contrib-group>
<contrib contrib-type="author">
<name>
<surname>Zeng</surname>
<given-names>Hui</given-names>
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<xref ref-type="aff" rid="a">a</xref>
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<contrib contrib-type="author">
<name>
<surname>Liu</surname>
<given-names>Xin-Lin</given-names>
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<xref ref-type="aff" rid="b">b</xref>
<xref ref-type="corresp" rid="cor">*</xref>
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Department of Pathology, Chinese People’s Armed Police Corps Hospital of Qinghai Province, Xining 810000,
<country>People’s Republic of China</country>
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<label>b</label>
Institute of Cardiovascular Disease, Pingjin Hospital, Medical College of Chinese People’s Armed Police Forces, Tianjin 300162,
<country>People’s Republic of China</country>
</aff>
</contrib-group>
<author-notes>
<corresp id="cor">Correspondence e-mail:
<email>xinlin_liu2010@yahoo.cn</email>
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<pub-date pub-type="collection">
<day>01</day>
<month>11</month>
<year>2010</year>
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<month>10</month>
<year>2010</year>
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<month>10</month>
<year>2010</year>
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<pmc-comment> PMC Release delay is 0 months and 0 days and was based on the . </pmc-comment>
<volume>66</volume>
<issue>Pt 11</issue>
<issue-id pub-id-type="publisher-id">e101100</issue-id>
<fpage>o2956</fpage>
<lpage>o2956</lpage>
<history>
<date date-type="received">
<day>10</day>
<month>10</month>
<year>2010</year>
</date>
<date date-type="accepted">
<day>20</day>
<month>10</month>
<year>2010</year>
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<permissions>
<copyright-statement>© Zeng and Liu 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>
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<self-uri xlink:type="simple" xlink:href="http://dx.doi.org/10.1107/S1600536810042698">A full version of this article is available from Crystallography Journals Online.</self-uri>
<abstract>
<p>The title compound, C
<sub>10</sub>
H
<sub>13</sub>
BrO, crystallizes with four independent mol­ecules of similar geometry in the asymmetric unit. The crystal packing is stabilized by inter­molecular O—H⋯O hydrogen bonds, which link the mol­ecules into tetra­mers.</p>
</abstract>
</article-meta>
</front>
<floats-group>
<table-wrap id="table1" position="float">
<label>Table 1</label>
<caption>
<title>Hydrogen-bond geometry (Å, °)</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—H1⋯O2
<sup>i</sup>
</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.84</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">1.90</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.742 (4)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">179</td>
</tr>
<tr>
<td style="" rowspan="1" colspan="1" align="left" valign="top">O2—H2⋯O4
<sup>ii</sup>
</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.84</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">1.91</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.739 (4)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">170</td>
</tr>
<tr>
<td style="" rowspan="1" colspan="1" align="left" valign="top">O3—H3⋯O1
<sup>iii</sup>
</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.84</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">1.90</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.727 (4)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">167</td>
</tr>
<tr>
<td style="" rowspan="1" colspan="1" align="left" valign="top">O4—H4⋯O3
<sup>iv</sup>
</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.84</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">1.90</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.740 (4)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">179</td>
</tr>
</tbody>
</table>
<table-wrap-foot>
<p>Symmetry codes: (i)
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</table-wrap>
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<li>République populaire de Chine</li>
</country>
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