N′-[(1E)-3-Bromo-5-chloro-2-hydroxybenzylidene]-4-tert-butylbenzohydrazide ethanol monosolvate
Identifieur interne : 001341 ( Pmc/Checkpoint ); précédent : 001340; suivant : 001342N′-[(1E)-3-Bromo-5-chloro-2-hydroxybenzylidene]-4-tert-butylbenzohydrazide ethanol monosolvate
Auteurs : A. Thirugnanasundar [Inde] ; K. Parthipan [Inde] ; V. S. Xavier Anthonisamy [Inde] ; G. Chakkaravarthi [Inde] ; G. Rajagopal [Inde]Source :
- Acta Crystallographica Section E: Structure Reports Online [ 1600-5368 ] ; 2011.
Abstract
In the title compound, C18H18BrClN2O2·C2H6O, the hydroxy group forms an intramolecular O—H⋯N hydrogen bond, which influences the conformation of the Shiff base molecule, where the two aromatic rings form a dihedral angle of 21.67 (8)°. Intermolecular N—H⋯O and O—H⋯O hydrogen bonds link two Shiff base molecules and two solvent molecules into a centrosymmetric heterotetramer. Weak intermolecular C—H⋯O interactions link further tetramers related by translation along the
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DOI: 10.1107/S160053681104027X
PubMed: 22219898
PubMed Central: 3247593
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<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en"><italic>N</italic>′-[(1<italic>E</italic>)-3-Bromo-5-chloro-2-hydroxybenzylidene]-4-<italic>tert</italic>-butylbenzohydrazide ethanol monosolvate</title><author><name sortKey="Thirugnanasundar, A" sort="Thirugnanasundar, A" uniqKey="Thirugnanasundar A" first="A." last="Thirugnanasundar">A. Thirugnanasundar</name><affiliation wicri:level="1"><nlm:aff id="a">Department of Chemistry, Velalar College of Engineering and Technology, Erode 638 009,<country>India</country></nlm:aff><country xml:lang="fr">Inde</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Parthipan, K" sort="Parthipan, K" uniqKey="Parthipan K" first="K." last="Parthipan">K. Parthipan</name><affiliation wicri:level="1"><nlm:aff id="b">Department of Chemistry, Pondicherry University, Pondicherry 605014,<country>India</country></nlm:aff><country xml:lang="fr">Inde</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Anthonisamy, V S Xavier" sort="Anthonisamy, V S Xavier" uniqKey="Anthonisamy V" first="V. S. Xavier" last="Anthonisamy">V. S. Xavier Anthonisamy</name><affiliation wicri:level="1"><nlm:aff id="c">Department of Chemistry, Government Arts College, Melur 625 106,<country>India</country></nlm:aff><country xml:lang="fr">Inde</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Chakkaravarthi, G" sort="Chakkaravarthi, G" uniqKey="Chakkaravarthi G" first="G." last="Chakkaravarthi">G. Chakkaravarthi</name><affiliation wicri:level="1"><nlm:aff id="d">Department of Physics, CPCL Polytechnic College, Chennai 600 068,<country>India</country></nlm:aff><country xml:lang="fr">Inde</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Rajagopal, G" sort="Rajagopal, G" uniqKey="Rajagopal G" first="G." last="Rajagopal">G. Rajagopal</name><affiliation wicri:level="1"><nlm:aff id="c">Department of Chemistry, Government Arts College, Melur 625 106,<country>India</country></nlm:aff><country xml:lang="fr">Inde</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">PMC</idno><idno type="pmid">22219898</idno><idno type="pmc">3247593</idno><idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247593</idno><idno type="RBID">PMC:3247593</idno><idno type="doi">10.1107/S160053681104027X</idno><date when="2011">2011</date><idno type="wicri:Area/Pmc/Corpus">000A26</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Corpus" wicri:corpus="PMC">000A26</idno><idno type="wicri:Area/Pmc/Curation">000A26</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Curation">000A26</idno><idno type="wicri:Area/Pmc/Checkpoint">001341</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Checkpoint">001341</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main"><italic>N</italic>′-[(1<italic>E</italic>)-3-Bromo-5-chloro-2-hydroxybenzylidene]-4-<italic>tert</italic>-butylbenzohydrazide ethanol monosolvate</title><author><name sortKey="Thirugnanasundar, A" sort="Thirugnanasundar, A" uniqKey="Thirugnanasundar A" first="A." last="Thirugnanasundar">A. Thirugnanasundar</name><affiliation wicri:level="1"><nlm:aff id="a">Department of Chemistry, Velalar College of Engineering and Technology, Erode 638 009,<country>India</country></nlm:aff><country xml:lang="fr">Inde</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Parthipan, K" sort="Parthipan, K" uniqKey="Parthipan K" first="K." last="Parthipan">K. Parthipan</name><affiliation wicri:level="1"><nlm:aff id="b">Department of Chemistry, Pondicherry University, Pondicherry 605014,<country>India</country></nlm:aff><country xml:lang="fr">Inde</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Anthonisamy, V S Xavier" sort="Anthonisamy, V S Xavier" uniqKey="Anthonisamy V" first="V. S. Xavier" last="Anthonisamy">V. S. Xavier Anthonisamy</name><affiliation wicri:level="1"><nlm:aff id="c">Department of Chemistry, Government Arts College, Melur 625 106,<country>India</country></nlm:aff><country xml:lang="fr">Inde</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Chakkaravarthi, G" sort="Chakkaravarthi, G" uniqKey="Chakkaravarthi G" first="G." last="Chakkaravarthi">G. Chakkaravarthi</name><affiliation wicri:level="1"><nlm:aff id="d">Department of Physics, CPCL Polytechnic College, Chennai 600 068,<country>India</country></nlm:aff><country xml:lang="fr">Inde</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Rajagopal, G" sort="Rajagopal, G" uniqKey="Rajagopal G" first="G." last="Rajagopal">G. Rajagopal</name><affiliation wicri:level="1"><nlm:aff id="c">Department of Chemistry, Government Arts College, Melur 625 106,<country>India</country></nlm:aff><country xml:lang="fr">Inde</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="2011">2011</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en"><p>In the title compound, C<sub>18</sub>H<sub>18</sub>BrClN<sub>2</sub>O<sub>2</sub>·C<sub>2</sub>H<sub>6</sub>O, the hydroxy group forms an intramolecular O—H⋯N hydrogen bond, which influences the conformation of the Shiff base molecule, where the two aromatic rings form a dihedral angle of 21.67 (8)°. Intermolecular N—H⋯O and O—H⋯O hydrogen bonds link two Shiff base molecules and two solvent molecules into a centrosymmetric heterotetramer. Weak intermolecular C—H⋯O interactions link further tetramers related by translation along the <italic>a</italic> axis into chains.</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></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="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">22219898</article-id><article-id pub-id-type="pmc">3247593</article-id><article-id pub-id-type="publisher-id">cv5157</article-id><article-id pub-id-type="doi">10.1107/S160053681104027X</article-id><article-id pub-id-type="coden">ACSEBH</article-id><article-id pub-id-type="pii">S160053681104027X</article-id><article-categories><subj-group subj-group-type="heading"><subject>Organic Papers</subject></subj-group></article-categories><title-group><article-title><italic>N</italic>′-[(1<italic>E</italic>)-3-Bromo-5-chloro-2-hydroxybenzylidene]-4-<italic>tert</italic>-butylbenzohydrazide ethanol monosolvate</article-title><alt-title><italic>C<sub>18</sub>H<sub>18</sub>BrClN<sub>2</sub>O<sub>2</sub>·C<sub>2</sub>H<sub>6</sub>O</italic></alt-title></title-group><contrib-group><contrib contrib-type="author"><name><surname>Thirugnanasundar</surname><given-names>A.</given-names></name><xref ref-type="aff" rid="a">a</xref></contrib><contrib contrib-type="author"><name><surname>Parthipan</surname><given-names>K.</given-names></name><xref ref-type="aff" rid="b">b</xref></contrib><contrib contrib-type="author"><name><surname>Anthonisamy</surname><given-names>V. S. Xavier</given-names></name><xref ref-type="aff" rid="c">c</xref></contrib><contrib contrib-type="author"><name><surname>Chakkaravarthi</surname><given-names>G.</given-names></name><xref ref-type="aff" rid="d">d</xref><xref ref-type="corresp" rid="cor">*</xref></contrib><contrib contrib-type="author"><name><surname>Rajagopal</surname><given-names>G.</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 Chemistry, Velalar College of Engineering and Technology, Erode 638 009,<country>India</country></aff><aff id="b"><label>b</label>Department of Chemistry, Pondicherry University, Pondicherry 605014,<country>India</country></aff><aff id="c"><label>c</label>Department of Chemistry, Government Arts College, Melur 625 106,<country>India</country></aff><aff id="d"><label>d</label>Department of Physics, CPCL Polytechnic College, Chennai 600 068,<country>India</country></aff></contrib-group><author-notes><corresp id="cor">Correspondence e-mail: <email>chakkaravarthi_2005@yahoo.com</email>, <email>rajagopal18@yahoo.com</email></corresp></author-notes><pub-date pub-type="collection"><day>01</day><month>11</month><year>2011</year></pub-date><pub-date pub-type="epub"><day>05</day><month>10</month><year>2011</year></pub-date><pub-date pub-type="pmc-release"><day>05</day><month>10</month><year>2011</year></pub-date><pmc-comment> PMC Release delay is 0 months and 0 days and was based on the
<volume>67</volume><issue>Pt 11</issue><issue-id pub-id-type="publisher-id">e111100</issue-id><fpage>o2857</fpage><lpage>o2857</lpage><history><date date-type="received"><day>20</day><month>9</month><year>2011</year></date><date date-type="accepted"><day>29</day><month>9</month><year>2011</year></date></history><permissions><copyright-statement>© Thirugnanasundar et al. 2011</copyright-statement><copyright-year>2011</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/S160053681104027X">A full version of this article is available from Crystallography Journals Online.</self-uri><abstract><p>In the title compound, C<sub>18</sub>H<sub>18</sub>BrClN<sub>2</sub>O<sub>2</sub>·C<sub>2</sub>H<sub>6</sub>O, the hydroxy group forms an intramolecular O—H⋯N hydrogen bond, which influences the conformation of the Shiff base molecule, where the two aromatic rings form a dihedral angle of 21.67 (8)°. Intermolecular N—H⋯O and O—H⋯O hydrogen bonds link two Shiff base molecules and two solvent molecules into a centrosymmetric heterotetramer. Weak intermolecular C—H⋯O interactions link further tetramers related by translation along the <italic>a</italic> axis into chains.</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⋯N1</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">2.577 (3)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">145</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">N2—H2⋯O3</td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.86</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.10</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.865 (3)</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">O3—H3⋯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">1.94</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.755 (3)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">171</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C14—H14⋯O2<sup>ii</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">2.54</td><td style="" rowspan="1" colspan="1" align="left" valign="top">3.418 (3)</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-67-o2857-efi2.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>; (ii) <inline-formula><inline-graphic xlink:href="e-67-o2857-efi3.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>.</p></table-wrap-foot></table-wrap></floats-group></pmc><affiliations><list><country><li>Inde</li></country></list><tree><country name="Inde"><noRegion><name sortKey="Thirugnanasundar, A" sort="Thirugnanasundar, A" uniqKey="Thirugnanasundar A" first="A." last="Thirugnanasundar">A. Thirugnanasundar</name></noRegion><name sortKey="Anthonisamy, V S Xavier" sort="Anthonisamy, V S Xavier" uniqKey="Anthonisamy V" first="V. S. Xavier" last="Anthonisamy">V. S. Xavier Anthonisamy</name><name sortKey="Chakkaravarthi, G" sort="Chakkaravarthi, G" uniqKey="Chakkaravarthi G" first="G." last="Chakkaravarthi">G. Chakkaravarthi</name><name sortKey="Parthipan, K" sort="Parthipan, K" uniqKey="Parthipan K" first="K." last="Parthipan">K. Parthipan</name><name sortKey="Rajagopal, G" sort="Rajagopal, G" uniqKey="Rajagopal G" first="G." last="Rajagopal">G. Rajagopal</name></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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