N-(2-Furoyl)-N′-(2-pyridyl)thiourea
Identifieur interne : 000A11 ( Pmc/Curation ); précédent : 000A10; suivant : 000A12N-(2-Furoyl)-N′-(2-pyridyl)thiourea
Auteurs : O. Estévez-Hernández [Cuba] ; J. Duque [Cuba] ; H. Pérez [Cuba] ; S. Santos Jr [Brésil] ; Y. Mascarenhas [Brésil]Source :
- Acta Crystallographica Section E: Structure Reports Online [ 1600-5368 ] ; 2009.
Abstract
The title compound, C11H9N3O2S, crystallizes with two independent molecules in the asymmetric unit. The central thiourea core makes dihedral angles of −3.3 (3) and 0.6 (3)° with the furan carbonyl groups in each molecule, whereas the pyridine ring is inclined by 4.63 (2) and 11.28 (7)°, respectively. The
Url:
DOI: 10.1107/S1600536809011301
PubMed: 21582630
PubMed Central: 2968930
Links toward previous steps (curation, corpus...)
- to stream Pmc, to step Corpus: Pour aller vers cette notice dans l'étape Curation :000A11
Links to Exploration step
PMC:2968930Le document en format XML
<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en"><italic>N</italic>-(2-Furoyl)-<italic>N</italic>′-(2-pyridyl)thiourea</title><author><name sortKey="Estevez Hernandez, O" sort="Estevez Hernandez, O" uniqKey="Estevez Hernandez O" first="O." last="Estévez-Hernández">O. Estévez-Hernández</name><affiliation wicri:level="1"><nlm:aff id="a">Laboratory of Molecular Engineering, Institute of Materials (IMRE), University of Havana,<country>Cuba</country></nlm:aff><country xml:lang="fr">Cuba</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Duque, J" sort="Duque, J" uniqKey="Duque J" first="J." last="Duque">J. Duque</name><affiliation wicri:level="1"><nlm:aff id="a">Laboratory of Molecular Engineering, Institute of Materials (IMRE), University of Havana,<country>Cuba</country></nlm:aff><country xml:lang="fr">Cuba</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Perez, H" sort="Perez, H" uniqKey="Perez H" first="H." last="Pérez">H. Pérez</name><affiliation wicri:level="1"><nlm:aff id="b">Departamento de Química Inorgánica, Facultad de Química, Universidad de La Habana,<country>Cuba</country></nlm:aff><country xml:lang="fr">Cuba</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Santos Jr, S" sort="Santos Jr, S" uniqKey="Santos Jr S" first="S." last="Santos Jr">S. Santos Jr</name><affiliation wicri:level="1"><nlm:aff id="c">Laboratório de Física, Universidade Federal do Tocantins, Palmas, Tocantins,<country>Brazil</country></nlm:aff><country xml:lang="fr">Brésil</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Mascarenhas, Y" sort="Mascarenhas, Y" uniqKey="Mascarenhas Y" first="Y." last="Mascarenhas">Y. Mascarenhas</name><affiliation wicri:level="1"><nlm:aff id="d">Instituto de Física de São Carlos, Universidade de São Paulo, São Carlos,<country>Brazil</country></nlm:aff><country xml:lang="fr">Brésil</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">PMC</idno><idno type="pmid">21582630</idno><idno type="pmc">2968930</idno><idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968930</idno><idno type="RBID">PMC:2968930</idno><idno type="doi">10.1107/S1600536809011301</idno><date when="2009">2009</date><idno type="wicri:Area/Pmc/Corpus">000A11</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Corpus" wicri:corpus="PMC">000A11</idno><idno type="wicri:Area/Pmc/Curation">000A11</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Curation">000A11</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main"><italic>N</italic>-(2-Furoyl)-<italic>N</italic>′-(2-pyridyl)thiourea</title><author><name sortKey="Estevez Hernandez, O" sort="Estevez Hernandez, O" uniqKey="Estevez Hernandez O" first="O." last="Estévez-Hernández">O. Estévez-Hernández</name><affiliation wicri:level="1"><nlm:aff id="a">Laboratory of Molecular Engineering, Institute of Materials (IMRE), University of Havana,<country>Cuba</country></nlm:aff><country xml:lang="fr">Cuba</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Duque, J" sort="Duque, J" uniqKey="Duque J" first="J." last="Duque">J. Duque</name><affiliation wicri:level="1"><nlm:aff id="a">Laboratory of Molecular Engineering, Institute of Materials (IMRE), University of Havana,<country>Cuba</country></nlm:aff><country xml:lang="fr">Cuba</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Perez, H" sort="Perez, H" uniqKey="Perez H" first="H." last="Pérez">H. Pérez</name><affiliation wicri:level="1"><nlm:aff id="b">Departamento de Química Inorgánica, Facultad de Química, Universidad de La Habana,<country>Cuba</country></nlm:aff><country xml:lang="fr">Cuba</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Santos Jr, S" sort="Santos Jr, S" uniqKey="Santos Jr S" first="S." last="Santos Jr">S. Santos Jr</name><affiliation wicri:level="1"><nlm:aff id="c">Laboratório de Física, Universidade Federal do Tocantins, Palmas, Tocantins,<country>Brazil</country></nlm:aff><country xml:lang="fr">Brésil</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Mascarenhas, Y" sort="Mascarenhas, Y" uniqKey="Mascarenhas Y" first="Y." last="Mascarenhas">Y. Mascarenhas</name><affiliation wicri:level="1"><nlm:aff id="d">Instituto de Física de São Carlos, Universidade de São Paulo, São Carlos,<country>Brazil</country></nlm:aff><country xml:lang="fr">Brésil</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="2009">2009</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en"><p>The title compound, C<sub>11</sub>H<sub>9</sub>N<sub>3</sub>O<sub>2</sub>S, crystallizes with two independent molecules in the asymmetric unit. The central thiourea core makes dihedral angles of −3.3 (3) and 0.6 (3)° with the furan carbonyl groups in each molecule, whereas the pyridine ring is inclined by 4.63 (2) and 11.28 (7)°, respectively. The <italic>trans</italic>–<italic>cis</italic> geometry of the thiourea fragment is stabilized by an intramolecular N—H⋯N hydrogen bond between the H atom of the <italic>cis</italic>-thioamide group and the pyridine N atom. In the crystal structure, intermolecular bifurcated N—H⋯S and N—H⋯O hydrogen bonds form centrosymmetric tetramers extending along the <italic>b</italic> axis.</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><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">21582630</article-id><article-id pub-id-type="pmc">2968930</article-id><article-id pub-id-type="publisher-id">ng2563</article-id><article-id pub-id-type="doi">10.1107/S1600536809011301</article-id><article-id pub-id-type="coden">ACSEBH</article-id><article-id pub-id-type="pii">S1600536809011301</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>-(2-Furoyl)-<italic>N</italic>′-(2-pyridyl)thiourea</article-title><alt-title><italic>C<sub>11</sub>H<sub>9</sub>N<sub>3</sub>O<sub>2</sub>S</italic></alt-title></title-group><contrib-group><contrib contrib-type="author"><name><surname>Estévez-Hernández</surname><given-names>O.</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>Duque</surname><given-names>J.</given-names></name><xref ref-type="aff" rid="a">a</xref></contrib><contrib contrib-type="author"><name><surname>Pérez</surname><given-names>H.</given-names></name><xref ref-type="aff" rid="b">b</xref></contrib><contrib contrib-type="author"><name><surname>Santos Jr</surname><given-names>S.</given-names></name><xref ref-type="aff" rid="c">c</xref></contrib><contrib contrib-type="author"><name><surname>Mascarenhas</surname><given-names>Y.</given-names></name><xref ref-type="aff" rid="d">d</xref></contrib><aff id="a"><label>a</label>Laboratory of Molecular Engineering, Institute of Materials (IMRE), University of Havana,<country>Cuba</country></aff><aff id="b"><label>b</label>Departamento de Química Inorgánica, Facultad de Química, Universidad de La Habana,<country>Cuba</country></aff><aff id="c"><label>c</label>Laboratório de Física, Universidade Federal do Tocantins, Palmas, Tocantins,<country>Brazil</country></aff><aff id="d"><label>d</label>Instituto de Física de São Carlos, Universidade de São Paulo, São Carlos,<country>Brazil</country></aff></contrib-group><author-notes><corresp id="cor">Correspondence e-mail: <email>osvaldo@imre.oc.uh.cu</email></corresp></author-notes><pub-date pub-type="collection"><day>01</day><month>4</month><year>2009</year></pub-date><pub-date pub-type="epub"><day>31</day><month>3</month><year>2009</year></pub-date><pub-date pub-type="pmc-release"><day>31</day><month>3</month><year>2009</year></pub-date><pmc-comment> PMC Release delay is 0 months and 0 days and was based on the
<volume>65</volume><issue>Pt 4</issue><issue-id pub-id-type="publisher-id">e090400</issue-id><fpage>o929</fpage><lpage>o930</lpage><history><date date-type="received"><day>16</day><month>3</month><year>2009</year></date><date date-type="accepted"><day>26</day><month>3</month><year>2009</year></date></history><permissions><copyright-statement>© Estévez-Hernández et al. 2009</copyright-statement><copyright-year>2009</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/S1600536809011301">A full version of this article is available from Crystallography Journals Online.</self-uri><abstract><p>The title compound, C<sub>11</sub>H<sub>9</sub>N<sub>3</sub>O<sub>2</sub>S, crystallizes with two independent molecules in the asymmetric unit. The central thiourea core makes dihedral angles of −3.3 (3) and 0.6 (3)° with the furan carbonyl groups in each molecule, whereas the pyridine ring is inclined by 4.63 (2) and 11.28 (7)°, respectively. The <italic>trans</italic>–<italic>cis</italic> geometry of the thiourea fragment is stabilized by an intramolecular N—H⋯N hydrogen bond between the H atom of the <italic>cis</italic>-thioamide group and the pyridine N atom. In the crystal structure, intermolecular bifurcated N—H⋯S and N—H⋯O hydrogen bonds form centrosymmetric tetramers extending along the <italic>b</italic> axis.</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">N1—H1⋯O2</td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.89 (2)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.23 (2)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.653 (2)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">109.3 (18)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">N1—H1⋯N3</td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.89 (2)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">1.84 (2)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.612 (2)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">145 (2)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">N1<italic>A</italic>—H1<italic>A</italic>⋯O2<italic>A</italic></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.87 (2)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.22 (2)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.661 (2)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">111.6 (18)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">N1<italic>A</italic>—H1<italic>A</italic>⋯N3<italic>A</italic></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.87 (2)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">1.90 (2)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.632 (2)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">141 (2)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">N2—H2⋯O1<italic>A</italic><sup>i</sup></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.84 (3)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.13 (2)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.940 (2)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">162 (2)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">N2<italic>A</italic>—H2<italic>A</italic>⋯S1<italic>A</italic><sup>i</sup></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.86 (2)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.51 (2)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">3.3530 (15)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">170 (2)</td></tr></tbody></table><table-wrap-foot><p>Symmetry code: (i) <inline-formula><inline-graphic xlink:href="e-65-0o929-efi2.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/Sante/explor/MersV1/Data/Pmc/Curation
HfdSelect -h $EXPLOR_STEP/biblio.hfd -nk 000A11 | SxmlIndent | more
Ou
HfdSelect -h $EXPLOR_AREA/Data/Pmc/Curation/biblio.hfd -nk 000A11 | SxmlIndent | more
Pour mettre un lien sur cette page dans le réseau Wicri
{{Explor lien
|wiki= Sante
|area= MersV1
|flux= Pmc
|étape= Curation
|type= RBID
|clé= PMC:2968930
|texte= N-(2-Furoyl)-N′-(2-pyridyl)thiourea
}}
Pour générer des pages wiki
HfdIndexSelect -h $EXPLOR_AREA/Data/Pmc/Curation/RBID.i -Sk "pubmed:21582630" \
| HfdSelect -Kh $EXPLOR_AREA/Data/Pmc/Curation/biblio.hfd \
| NlmPubMed2Wicri -a MersV1
| This area was generated with Dilib version V0.6.33. |  |