MersV1, Pmc, Checkpoint, bibRecord, 001278

2-(3,5-Dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetic acid

Identifieur interne : 001278 ( Pmc/Checkpoint ); précédent : 001277; suivant : 001279

2-(3,5-Dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetic acid

Auteurs : Mehmet Akkurt [Turquie] ; Aliasghar Jarrahpour [Iran] ; Pouria Shirvani [Iran] ; Muhammad Nawaz Tahir [Pakistan]

Source :

Acta Crystallographica Section E: Structure Reports Online [ 1600-5368 ] ; 2013.

RBID : PMC:3884503

Abstract

The asymmetric unit of the title compound, C₁₁H₁₁NO₄, contains two molecules, A and B, with different conformations: in molecule A, the norborne and carboxylic acid groups lie to the same side of the heterocycle, whereas in a molecule B, they lie on opposite sides. In the crystal, the A molecules form R₂²(8) carboxylic acid inversion dimers, linked by pairs of O—H⋯O hydrogen bonds. The B molecules link to one of the ketone O atoms of the A molecule by an O—H⋯O interaction, resulting in tetramers (two A and two B molecules). The tetramers are linked by weak C—H⋯O interactions, generating a three-dimensional network.

Url:

http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884503

DOI: 10.1107/S1600536813021764
PubMed: 24427042
PubMed Central: 3884503

Affiliations:

Iran, Pakistan, Turquie

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PMC:3884503

Le document en format XML

<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">2-(3,5-Dioxo-4-azatricyclo[5.2.1.0<sup>2,6</sup>
]dec-8-en-4-yl)acetic acid</title>
<author><name sortKey="Akkurt, Mehmet" sort="Akkurt, Mehmet" uniqKey="Akkurt M" first="Mehmet" last="Akkurt">Mehmet Akkurt</name>
<affiliation wicri:level="1"><nlm:aff id="a">Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri,<country>Turkey</country>
</nlm:aff>
<country xml:lang="fr">Turquie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Jarrahpour, Aliasghar" sort="Jarrahpour, Aliasghar" uniqKey="Jarrahpour A" first="Aliasghar" last="Jarrahpour">Aliasghar Jarrahpour</name>
<affiliation wicri:level="1"><nlm:aff id="b">Department of Chemistry, College of Sciences, Shiraz University, 71454 Shiraz,<country>Iran</country>
</nlm:aff>
<country xml:lang="fr">Iran</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Shirvani, Pouria" sort="Shirvani, Pouria" uniqKey="Shirvani P" first="Pouria" last="Shirvani">Pouria Shirvani</name>
<affiliation wicri:level="1"><nlm:aff id="b">Department of Chemistry, College of Sciences, Shiraz University, 71454 Shiraz,<country>Iran</country>
</nlm:aff>
<country xml:lang="fr">Iran</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Tahir, Muhammad Nawaz" sort="Tahir, Muhammad Nawaz" uniqKey="Tahir M" first="Muhammad Nawaz" last="Tahir">Muhammad Nawaz Tahir</name>
<affiliation wicri:level="1"><nlm:aff id="c">Department of Physics, University of Sargodha, Sargodha,<country>Pakistan</country>
</nlm:aff>
<country xml:lang="fr">Pakistan</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
</titleStmt>
<publicationStmt><idno type="wicri:source">PMC</idno>
<idno type="pmid">24427042</idno>
<idno type="pmc">3884503</idno>
<idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884503</idno>
<idno type="RBID">PMC:3884503</idno>
<idno type="doi">10.1107/S1600536813021764</idno>
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<sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">2-(3,5-Dioxo-4-azatricyclo[5.2.1.0<sup>2,6</sup>
]dec-8-en-4-yl)acetic acid</title>
<author><name sortKey="Akkurt, Mehmet" sort="Akkurt, Mehmet" uniqKey="Akkurt M" first="Mehmet" last="Akkurt">Mehmet Akkurt</name>
<affiliation wicri:level="1"><nlm:aff id="a">Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri,<country>Turkey</country>
</nlm:aff>
<country xml:lang="fr">Turquie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Jarrahpour, Aliasghar" sort="Jarrahpour, Aliasghar" uniqKey="Jarrahpour A" first="Aliasghar" last="Jarrahpour">Aliasghar Jarrahpour</name>
<affiliation wicri:level="1"><nlm:aff id="b">Department of Chemistry, College of Sciences, Shiraz University, 71454 Shiraz,<country>Iran</country>
</nlm:aff>
<country xml:lang="fr">Iran</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Shirvani, Pouria" sort="Shirvani, Pouria" uniqKey="Shirvani P" first="Pouria" last="Shirvani">Pouria Shirvani</name>
<affiliation wicri:level="1"><nlm:aff id="b">Department of Chemistry, College of Sciences, Shiraz University, 71454 Shiraz,<country>Iran</country>
</nlm:aff>
<country xml:lang="fr">Iran</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Tahir, Muhammad Nawaz" sort="Tahir, Muhammad Nawaz" uniqKey="Tahir M" first="Muhammad Nawaz" last="Tahir">Muhammad Nawaz Tahir</name>
<affiliation wicri:level="1"><nlm:aff id="c">Department of Physics, University of Sargodha, Sargodha,<country>Pakistan</country>
</nlm:aff>
<country xml:lang="fr">Pakistan</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="2013">2013</date>
</imprint>
</series>
</biblStruct>
</sourceDesc>
</fileDesc>
<profileDesc><textClass></textClass>
</profileDesc>
</teiHeader>
<front><div type="abstract" xml:lang="en"><p>The asymmetric unit of the title compound, C<sub>11</sub>
H<sub>11</sub>
NO<sub>4</sub>
, contains two molecules, <italic>A</italic>
 and <italic>B</italic>
, with different conformations: in molecule <italic>A</italic>
, the norborne and carboxylic acid groups lie to the same side of the heterocycle, whereas in a molecule <italic>B</italic>
, they lie on opposite sides. In the crystal, the <italic>A</italic>
 molecules form <italic>R</italic>
<sub>2</sub>
<sup>2</sup>
(8) carboxylic acid inversion dimers, linked by pairs of O—H⋯O hydrogen bonds. The <italic>B</italic>
 molecules link to one of the ketone O atoms of the <italic>A</italic>
 molecule by an O—H⋯O interaction, resulting in tetramers (two <italic>A</italic>
 and two <italic>B</italic>
 molecules). The tetramers are linked by weak C—H⋯O interactions, generating a three-dimensional network.</p>
</div>
</front>
<back><div1 type="bibliography"><listBibl><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 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">24427042</article-id>
<article-id pub-id-type="pmc">3884503</article-id>
<article-id pub-id-type="publisher-id">hb7113</article-id>
<article-id pub-id-type="doi">10.1107/S1600536813021764</article-id>
<article-id pub-id-type="coden">ACSEBH</article-id>
<article-id pub-id-type="pii">S1600536813021764</article-id>
<article-categories><subj-group subj-group-type="heading"><subject>Organic Papers</subject>
</subj-group>
</article-categories>
<title-group><article-title>2-(3,5-Dioxo-4-azatricyclo[5.2.1.0<sup>2,6</sup>
]dec-8-en-4-yl)acetic acid</article-title>
<alt-title><italic>C<sub>11</sub>
H<sub>11</sub>
NO<sub>4</sub>
</italic>
</alt-title>
</title-group>
<contrib-group><contrib contrib-type="author"><name><surname>Akkurt</surname>
<given-names>Mehmet</given-names>
</name>
<xref ref-type="aff" rid="a">a</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Jarrahpour</surname>
<given-names>Aliasghar</given-names>
</name>
<xref ref-type="aff" rid="b">b</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Shirvani</surname>
<given-names>Pouria</given-names>
</name>
<xref ref-type="aff" rid="b">b</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Tahir</surname>
<given-names>Muhammad Nawaz</given-names>
</name>
<xref ref-type="aff" rid="c">c</xref>
<xref ref-type="corresp" rid="cor">*</xref>
</contrib>
<aff id="a"><label>a</label>
Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri,<country>Turkey</country>
</aff>
<aff id="b"><label>b</label>
Department of Chemistry, College of Sciences, Shiraz University, 71454 Shiraz,<country>Iran</country>
</aff>
<aff id="c"><label>c</label>
Department of Physics, University of Sargodha, Sargodha,<country>Pakistan</country>
</aff>
</contrib-group>
<author-notes><corresp id="cor">Correspondence e-mail: <email>dmntahir_uos@yahoo.com</email>
</corresp>
</author-notes>
<pub-date pub-type="collection"><day>01</day>
<month>9</month>
<year>2013</year>
</pub-date>
<pub-date pub-type="epub"><day>10</day>
<month>8</month>
<year>2013</year>
</pub-date>
<pub-date pub-type="pmc-release"><day>10</day>
<month>8</month>
<year>2013</year>
</pub-date>
<pmc-comment> PMC Release delay is 0 months and 0 days and was based on the 
 							. </pmc-comment>
      <volume>69</volume>
<issue>Pt 9</issue>
<issue-id pub-id-type="publisher-id">e130900</issue-id>
<fpage>o1404</fpage>
<lpage>o1404</lpage>
<history><date date-type="received"><day>31</day>
<month>7</month>
<year>2013</year>
</date>
<date date-type="accepted"><day>04</day>
<month>8</month>
<year>2013</year>
</date>
</history>
<permissions><copyright-statement>© Akkurt et al. 2013</copyright-statement>
<copyright-year>2013</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/S1600536813021764">A full version of this article is available from Crystallography Journals Online.</self-uri>
<abstract><p>The asymmetric unit of the title compound, C<sub>11</sub>
H<sub>11</sub>
NO<sub>4</sub>
, contains two molecules, <italic>A</italic>
 and <italic>B</italic>
, with different conformations: in molecule <italic>A</italic>
, the norborne and carboxylic acid groups lie to the same side of the heterocycle, whereas in a molecule <italic>B</italic>
, they lie on opposite sides. In the crystal, the <italic>A</italic>
 molecules form <italic>R</italic>
<sub>2</sub>
<sup>2</sup>
(8) carboxylic acid inversion dimers, linked by pairs of O—H⋯O hydrogen bonds. The <italic>B</italic>
 molecules link to one of the ketone O atoms of the <italic>A</italic>
 molecule by an O—H⋯O interaction, resulting in tetramers (two <italic>A</italic>
 and two <italic>B</italic>
 molecules). The tetramers are linked by weak C—H⋯O interactions, generating a three-dimensional network.</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">0.82</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">1.84</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.6504 (18)</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">O5—H5<italic>A</italic>
⋯O3<sup>ii</sup>
</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.82</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">1.86</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.6509 (18)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">163</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C11—H11⋯O8<sup>iii</sup>
</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.93</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.57</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">3.440 (2)</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">C15—H15⋯O8<sup>iv</sup>
</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.98</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.33</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">3.201 (2)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">147</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C16—H16⋯O1<sup>iv</sup>
</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.98</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.48</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">3.1473 (19)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">125</td>
</tr>
</tbody>
</table>
<table-wrap-foot><p>Symmetry codes: (i) <inline-formula><inline-graphic xlink:href="e-69-o1404-efi2.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (ii) <inline-formula><inline-graphic xlink:href="e-69-o1404-efi3.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (iii) <inline-formula><inline-graphic xlink:href="e-69-o1404-efi4.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (iv) <inline-formula><inline-graphic xlink:href="e-69-o1404-efi5.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
.</p>
</table-wrap-foot>
</table-wrap>
</floats-group>
</pmc>
<affiliations><list><country><li>Iran</li>
<li>Pakistan</li>
<li>Turquie</li>
</country>
</list>
<tree><country name="Turquie"><noRegion><name sortKey="Akkurt, Mehmet" sort="Akkurt, Mehmet" uniqKey="Akkurt M" first="Mehmet" last="Akkurt">Mehmet Akkurt</name>
</noRegion>
</country>
<country name="Iran"><noRegion><name sortKey="Jarrahpour, Aliasghar" sort="Jarrahpour, Aliasghar" uniqKey="Jarrahpour A" first="Aliasghar" last="Jarrahpour">Aliasghar Jarrahpour</name>
</noRegion>
<name sortKey="Shirvani, Pouria" sort="Shirvani, Pouria" uniqKey="Shirvani P" first="Pouria" last="Shirvani">Pouria Shirvani</name>
</country>
<country name="Pakistan"><noRegion><name sortKey="Tahir, Muhammad Nawaz" sort="Tahir, Muhammad Nawaz" uniqKey="Tahir M" first="Muhammad Nawaz" last="Tahir">Muhammad Nawaz Tahir</name>
</noRegion>
</country>
</tree>
</affiliations>
</record>

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2-(3,5-Dioxo-4-aza­tri­cyclo­[5.2.1.02,6]dec-8-en-4-yl)acetic acid

2-(3,5-Dioxo-4-aza­tri­cyclo­[5.2.1.02,6]dec-8-en-4-yl)acetic acid

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Abstract

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2-(3,5-Dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetic acid

2-(3,5-Dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetic acid