N-(2-Furo-yl)-N'-(2-pyrid-yl)thio-urea.
Identifieur interne : 001E97 ( PubMed/Checkpoint ); précédent : 001E96; suivant : 001E98N-(2-Furo-yl)-N'-(2-pyrid-yl)thio-urea.
Auteurs : O. Estévez-Hernández ; J. Duque ; H. Pérez ; S. Santos ; Y. MascarenhasSource :
- Acta crystallographica. Section E, Structure reports online [ 1600-5368 ] ; 2009.
Abstract
The title compound, C(11)H(9)N(3)O(2)S, crystallizes with two independent mol-ecules in the asymmetric unit. The central thio-urea core makes dihedral angles of -3.3 (3) and 0.6 (3)° with the furan carbonyl groups in each mol-ecule, whereas the pyridine ring is inclined by 4.63 (2) and 11.28 (7)°, respectively. The trans-cis geometry of the thio-urea fragment is stabilized by an intra-molecular N-H⋯N hydrogen bond between the H atom of the cis-thio-amide group and the pyridine N atom. In the crystal structure, inter-molecular bifurcated N-H⋯S and N-H⋯O hydrogen bonds form centrosymmetric tetra-mers extending along the b axis.
DOI: 10.1107/S1600536809011301
PubMed: 21582630
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Mascarenhas</name></author></titleStmt><publicationStmt><idno type="wicri:source">PubMed</idno><date when="2009">2009</date><idno type="RBID">pubmed:21582630</idno><idno type="pmid">21582630</idno><idno type="doi">10.1107/S1600536809011301</idno><idno type="wicri:Area/PubMed/Corpus">002048</idno><idno type="wicri:explorRef" wicri:stream="PubMed" wicri:step="Corpus" wicri:corpus="PubMed">002048</idno><idno type="wicri:Area/PubMed/Curation">002048</idno><idno type="wicri:explorRef" wicri:stream="PubMed" wicri:step="Curation">002048</idno><idno type="wicri:Area/PubMed/Checkpoint">001E97</idno><idno type="wicri:explorRef" wicri:stream="Checkpoint" wicri:step="PubMed">001E97</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en">N-(2-Furo-yl)-N'-(2-pyrid-yl)thio-urea.</title><author><name sortKey="Estevez Hernandez, O" sort="Estevez Hernandez, O" uniqKey="Estevez Hernandez O" first="O" last="Estévez-Hernández">O. Estévez-Hernández</name></author><author><name sortKey="Duque, J" sort="Duque, J" uniqKey="Duque J" first="J" last="Duque">J. Duque</name></author><author><name sortKey="Perez, H" sort="Perez, H" uniqKey="Perez H" first="H" last="Pérez">H. Pérez</name></author><author><name sortKey="Santos, S" sort="Santos, S" uniqKey="Santos S" first="S" last="Santos">S. Santos</name></author><author><name sortKey="Mascarenhas, Y" sort="Mascarenhas, Y" uniqKey="Mascarenhas Y" first="Y" last="Mascarenhas">Y. Mascarenhas</name></author></analytic><series><title level="j">Acta crystallographica. Section E, Structure reports online</title><idno type="ISSN">1600-5368</idno><imprint><date when="2009" type="published">2009</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">The title compound, C(11)H(9)N(3)O(2)S, crystallizes with two independent mol-ecules in the asymmetric unit. The central thio-urea core makes dihedral angles of -3.3 (3) and 0.6 (3)° with the furan carbonyl groups in each mol-ecule, whereas the pyridine ring is inclined by 4.63 (2) and 11.28 (7)°, respectively. The trans-cis geometry of the thio-urea fragment is stabilized by an intra-molecular N-H⋯N hydrogen bond between the H atom of the cis-thio-amide group and the pyridine N atom. In the crystal structure, inter-molecular bifurcated N-H⋯S and N-H⋯O hydrogen bonds form centrosymmetric tetra-mers extending along the b axis.</div></front></TEI><pubmed><MedlineCitation Status="PubMed-not-MEDLINE" Owner="NLM"><PMID Version="1">21582630</PMID><DateCompleted><Year>2011</Year><Month>07</Month><Day>14</Day></DateCompleted><DateRevised><Year>2018</Year><Month>11</Month><Day>13</Day></DateRevised><Article PubModel="Electronic"><Journal><ISSN IssnType="Print">1600-5368</ISSN><JournalIssue CitedMedium="Print"><Volume>65</Volume><Issue>Pt 4</Issue><PubDate><Year>2009</Year><Month>Mar</Month><Day>31</Day></PubDate></JournalIssue><Title>Acta crystallographica. Section E, Structure reports online</Title><ISOAbbreviation>Acta Crystallogr Sect E Struct Rep Online</ISOAbbreviation></Journal><ArticleTitle>N-(2-Furo-yl)-N'-(2-pyrid-yl)thio-urea.</ArticleTitle><Pagination><MedlinePgn>o929-30</MedlinePgn></Pagination><ELocationID EIdType="doi" ValidYN="Y">10.1107/S1600536809011301</ELocationID><Abstract><AbstractText>The title compound, C(11)H(9)N(3)O(2)S, crystallizes with two independent mol-ecules in the asymmetric unit. The central thio-urea core makes dihedral angles of -3.3 (3) and 0.6 (3)° with the furan carbonyl groups in each mol-ecule, whereas the pyridine ring is inclined by 4.63 (2) and 11.28 (7)°, respectively. The trans-cis geometry of the thio-urea fragment is stabilized by an intra-molecular N-H⋯N hydrogen bond between the H atom of the cis-thio-amide group and the pyridine N atom. In the crystal structure, inter-molecular bifurcated N-H⋯S and N-H⋯O hydrogen bonds form centrosymmetric tetra-mers extending along the b axis.</AbstractText></Abstract><AuthorList CompleteYN="Y"><Author ValidYN="Y"><LastName>Estévez-Hernández</LastName><ForeName>O</ForeName><Initials>O</Initials></Author><Author ValidYN="Y"><LastName>Duque</LastName><ForeName>J</ForeName><Initials>J</Initials></Author><Author ValidYN="Y"><LastName>Pérez</LastName><ForeName>H</ForeName><Initials>H</Initials></Author><Author ValidYN="Y"><LastName>Santos</LastName><ForeName>S</ForeName><Initials>S</Initials><Suffix>Jr</Suffix></Author><Author ValidYN="Y"><LastName>Mascarenhas</LastName><ForeName>Y</ForeName><Initials>Y</Initials></Author></AuthorList><Language>eng</Language><PublicationTypeList><PublicationType UI="D016428">Journal Article</PublicationType></PublicationTypeList><ArticleDate DateType="Electronic"><Year>2009</Year><Month>03</Month><Day>31</Day></ArticleDate></Article><MedlineJournalInfo><Country>United States</Country><MedlineTA>Acta Crystallogr Sect E Struct Rep Online</MedlineTA><NlmUniqueID>101089178</NlmUniqueID><ISSNLinking>1600-5368</ISSNLinking></MedlineJournalInfo></MedlineCitation><PubmedData><History><PubMedPubDate PubStatus="received"><Year>2009</Year><Month>03</Month><Day>16</Day></PubMedPubDate><PubMedPubDate PubStatus="accepted"><Year>2009</Year><Month>03</Month><Day>26</Day></PubMedPubDate><PubMedPubDate PubStatus="entrez"><Year>2011</Year><Month>5</Month><Day>18</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate PubStatus="pubmed"><Year>2009</Year><Month>1</Month><Day>1</Day><Hour>0</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate PubStatus="medline"><Year>2009</Year><Month>1</Month><Day>1</Day><Hour>0</Hour><Minute>1</Minute></PubMedPubDate></History><PublicationStatus>epublish</PublicationStatus><ArticleIdList><ArticleId IdType="pubmed">21582630</ArticleId><ArticleId IdType="doi">10.1107/S1600536809011301</ArticleId><ArticleId IdType="pmc">PMC2968930</ArticleId></ArticleIdList><ReferenceList><Reference><Citation>Acta Crystallogr Sect E Struct Rep Online. 2008;64(Pt 7):o1193</Citation><ArticleIdList><ArticleId IdType="pubmed">21202835</ArticleId></ArticleIdList></Reference><Reference><Citation>Acta Crystallogr Sect E Struct Rep Online. 2008;64(Pt 8):o1414</Citation><ArticleIdList><ArticleId IdType="pubmed">21203133</ArticleId></ArticleIdList></Reference><Reference><Citation>Acta Crystallogr Sect E Struct Rep Online. 2008;64(Pt 8):o1457</Citation><ArticleIdList><ArticleId IdType="pubmed">21203171</ArticleId></ArticleIdList></Reference><Reference><Citation>Acta Crystallogr Sect E Struct Rep Online. 2008 Jan 25;64(Pt 2):o513</Citation><ArticleIdList><ArticleId IdType="pubmed">21201532</ArticleId></ArticleIdList></Reference><Reference><Citation>Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22</Citation><ArticleIdList><ArticleId IdType="pubmed">18156677</ArticleId></ArticleIdList></Reference></ReferenceList></PubmedData></pubmed><affiliations><list></list><tree><noCountry><name sortKey="Duque, J" sort="Duque, J" uniqKey="Duque J" first="J" last="Duque">J. Duque</name><name sortKey="Estevez Hernandez, O" sort="Estevez Hernandez, O" uniqKey="Estevez Hernandez O" first="O" last="Estévez-Hernández">O. Estévez-Hernández</name><name sortKey="Mascarenhas, Y" sort="Mascarenhas, Y" uniqKey="Mascarenhas Y" first="Y" last="Mascarenhas">Y. Mascarenhas</name><name sortKey="Perez, H" sort="Perez, H" uniqKey="Perez H" first="H" last="Pérez">H. Pérez</name><name sortKey="Santos, S" sort="Santos, S" uniqKey="Santos S" first="S" last="Santos">S. Santos</name></noCountry></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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