Redetermination of 1-benzyl-3-furoyl-1-phenyl-thio-urea

The title compound, C(19)H(16)N(2)O(2)S, was synthesized from furoyl isothio-cyanate and N-benzyl-aniline in dry acetone and the structure redetermined. The structure [Otazo-Sánchez et al. (2001 ▶). J. Chem. Soc. Perkin Trans. 2, pp. 2211-2218] has been re-determined in order to establish the intram...

Full description

Saved in:
Bibliographic Details
Published in:Acta crystallographica. Section E, Structure reports online Structure reports online, 2009-02, Vol.65 (Pt 3), p.o648-o648
Main Authors: Estévez-Hernández, O, Corrêa, Rodrigo S, Ellena, J, Duque, J
Format: Article
Language:English
Subjects:
Organic Papers
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
cited_by
cites
container_end_page o648
container_issue Pt 3
container_start_page o648
container_title Acta crystallographica. Section E, Structure reports online
container_volume 65
creator Estévez-Hernández, O
Corrêa, Rodrigo S
Ellena, J
Duque, J
description The title compound, C(19)H(16)N(2)O(2)S, was synthesized from furoyl isothio-cyanate and N-benzyl-aniline in dry acetone and the structure redetermined. The structure [Otazo-Sánchez et al. (2001 ▶). J. Chem. Soc. Perkin Trans. 2, pp. 2211-2218] has been re-determined in order to establish the intramolecular and intermolecular inter-actions. The thio-urea group is in the thio-amide form. The thio-urea group makes a dihedral angle of 29.2 (6)° with the furoyl group. In the crystal structure, mol-ecules are linked by inter-molecular C-H⋯O inter-actions, forming one-dimensional chains along the a axis. An intra-molecular N-H⋯O hydrogen bond is also present.
doi_str_mv 10.1107/S1600536808044085
format article
fullrecord <record><control><sourceid>proquest_pubme</sourceid><recordid>TN_cdi_pubmedcentral_primary_oai_pubmedcentral_nih_gov_2968693</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>867479467</sourcerecordid><originalsourceid>FETCH-LOGICAL-p180t-ab6bbf59bd638ff79c41c742b893c8cf7b52c4aa3ff3429a20cac7efea6bb9573</originalsourceid><addsrcrecordid>eNpVkEtLAzEUhYMotlZ_gBvpzlU0r8ljI0jxBQXBxzokaWIjM5MxMyPUX-8MVqmreziX-x3OBeAUowuMkbh8xhyhgnKJJGIMyWIPTEcLjt7-jp6Ao7Z9RwhzQfAhmBBcSEIUnwLx5Fe-87mKteliqucpzDG0vv7alJDC0Oc0CAybta8H0a1jgn325hgcBFO2_mQ7Z-D19uZlcQ-Xj3cPi-slbLBEHTSWWxsKZVecyhCEcgw7wYiVijrpgrAFccwYGgJlRBmCnHHCB2-GO1UIOgNXP9ymt5VfOV932ZS6ybEyeaOTifr_po5r_ZY-9dBOckUHwPkWkNNH79tOV7F1vixN7VPfaskFE4rxMepsN-ov4_dZ9Bt_ZW2m</addsrcrecordid><sourcetype>Open Access Repository</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>867479467</pqid></control><display><type>article</type><title>Redetermination of 1-benzyl-3-furoyl-1-phenyl-thio-urea</title><source>Open Access: PubMed Central</source><creator>Estévez-Hernández, O ; Corrêa, Rodrigo S ; Ellena, J ; Duque, J</creator><creatorcontrib>Estévez-Hernández, O ; Corrêa, Rodrigo S ; Ellena, J ; Duque, J</creatorcontrib><description>The title compound, C(19)H(16)N(2)O(2)S, was synthesized from furoyl isothio-cyanate and N-benzyl-aniline in dry acetone and the structure redetermined. The structure [Otazo-Sánchez et al. (2001 ▶). J. Chem. Soc. Perkin Trans. 2, pp. 2211-2218] has been re-determined in order to establish the intramolecular and intermolecular inter-actions. The thio-urea group is in the thio-amide form. The thio-urea group makes a dihedral angle of 29.2 (6)° with the furoyl group. In the crystal structure, mol-ecules are linked by inter-molecular C-H⋯O inter-actions, forming one-dimensional chains along the a axis. An intra-molecular N-H⋯O hydrogen bond is also present.</description><identifier>ISSN: 1600-5368</identifier><identifier>EISSN: 1600-5368</identifier><identifier>DOI: 10.1107/S1600536808044085</identifier><identifier>PMID: 21582296</identifier><language>eng</language><publisher>United States: International Union of Crystallography</publisher><subject>Organic Papers</subject><ispartof>Acta crystallographica. Section E, Structure reports online, 2009-02, Vol.65 (Pt 3), p.o648-o648</ispartof><rights>Estévez-Hernández et al. 2009 2009</rights><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968693/pdf/$$EPDF$$P50$$Gpubmedcentral$$Hfree_for_read</linktopdf><linktohtml>$$Uhttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968693/$$EHTML$$P50$$Gpubmedcentral$$Hfree_for_read</linktohtml><link.rule.ids>230,314,727,780,784,885,27924,27925,53791,53793</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/21582296$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Estévez-Hernández, O</creatorcontrib><creatorcontrib>Corrêa, Rodrigo S</creatorcontrib><creatorcontrib>Ellena, J</creatorcontrib><creatorcontrib>Duque, J</creatorcontrib><title>Redetermination of 1-benzyl-3-furoyl-1-phenyl-thio-urea</title><title>Acta crystallographica. Section E, Structure reports online</title><addtitle>Acta Crystallogr Sect E Struct Rep Online</addtitle><description>The title compound, C(19)H(16)N(2)O(2)S, was synthesized from furoyl isothio-cyanate and N-benzyl-aniline in dry acetone and the structure redetermined. The structure [Otazo-Sánchez et al. (2001 ▶). J. Chem. Soc. Perkin Trans. 2, pp. 2211-2218] has been re-determined in order to establish the intramolecular and intermolecular inter-actions. The thio-urea group is in the thio-amide form. The thio-urea group makes a dihedral angle of 29.2 (6)° with the furoyl group. In the crystal structure, mol-ecules are linked by inter-molecular C-H⋯O inter-actions, forming one-dimensional chains along the a axis. An intra-molecular N-H⋯O hydrogen bond is also present.</description><subject>Organic Papers</subject><issn>1600-5368</issn><issn>1600-5368</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2009</creationdate><recordtype>article</recordtype><recordid>eNpVkEtLAzEUhYMotlZ_gBvpzlU0r8ljI0jxBQXBxzokaWIjM5MxMyPUX-8MVqmreziX-x3OBeAUowuMkbh8xhyhgnKJJGIMyWIPTEcLjt7-jp6Ao7Z9RwhzQfAhmBBcSEIUnwLx5Fe-87mKteliqucpzDG0vv7alJDC0Oc0CAybta8H0a1jgn325hgcBFO2_mQ7Z-D19uZlcQ-Xj3cPi-slbLBEHTSWWxsKZVecyhCEcgw7wYiVijrpgrAFccwYGgJlRBmCnHHCB2-GO1UIOgNXP9ymt5VfOV932ZS6ybEyeaOTifr_po5r_ZY-9dBOckUHwPkWkNNH79tOV7F1vixN7VPfaskFE4rxMepsN-ov4_dZ9Bt_ZW2m</recordid><startdate>20090228</startdate><enddate>20090228</enddate><creator>Estévez-Hernández, O</creator><creator>Corrêa, Rodrigo S</creator><creator>Ellena, J</creator><creator>Duque, J</creator><general>International Union of Crystallography</general><scope>NPM</scope><scope>7X8</scope><scope>5PM</scope></search><sort><creationdate>20090228</creationdate><title>Redetermination of 1-benzyl-3-furoyl-1-phenyl-thio-urea</title><author>Estévez-Hernández, O ; Corrêa, Rodrigo S ; Ellena, J ; Duque, J</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-p180t-ab6bbf59bd638ff79c41c742b893c8cf7b52c4aa3ff3429a20cac7efea6bb9573</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2009</creationdate><topic>Organic Papers</topic><toplevel>online_resources</toplevel><creatorcontrib>Estévez-Hernández, O</creatorcontrib><creatorcontrib>Corrêa, Rodrigo S</creatorcontrib><creatorcontrib>Ellena, J</creatorcontrib><creatorcontrib>Duque, J</creatorcontrib><collection>PubMed</collection><collection>MEDLINE - Academic</collection><collection>PubMed Central (Full Participant titles)</collection><jtitle>Acta crystallographica. Section E, Structure reports online</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Estévez-Hernández, O</au><au>Corrêa, Rodrigo S</au><au>Ellena, J</au><au>Duque, J</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Redetermination of 1-benzyl-3-furoyl-1-phenyl-thio-urea</atitle><jtitle>Acta crystallographica. Section E, Structure reports online</jtitle><addtitle>Acta Crystallogr Sect E Struct Rep Online</addtitle><date>2009-02-28</date><risdate>2009</risdate><volume>65</volume><issue>Pt 3</issue><spage>o648</spage><epage>o648</epage><pages>o648-o648</pages><issn>1600-5368</issn><eissn>1600-5368</eissn><abstract>The title compound, C(19)H(16)N(2)O(2)S, was synthesized from furoyl isothio-cyanate and N-benzyl-aniline in dry acetone and the structure redetermined. The structure [Otazo-Sánchez et al. (2001 ▶). J. Chem. Soc. Perkin Trans. 2, pp. 2211-2218] has been re-determined in order to establish the intramolecular and intermolecular inter-actions. The thio-urea group is in the thio-amide form. The thio-urea group makes a dihedral angle of 29.2 (6)° with the furoyl group. In the crystal structure, mol-ecules are linked by inter-molecular C-H⋯O inter-actions, forming one-dimensional chains along the a axis. An intra-molecular N-H⋯O hydrogen bond is also present.</abstract><cop>United States</cop><pub>International Union of Crystallography</pub><pmid>21582296</pmid><doi>10.1107/S1600536808044085</doi><oa>free_for_read</oa></addata></record>
fulltext fulltext
identifier ISSN: 1600-5368
ispartof Acta crystallographica. Section E, Structure reports online, 2009-02, Vol.65 (Pt 3), p.o648-o648
issn 1600-5368
1600-5368
language eng
recordid cdi_pubmedcentral_primary_oai_pubmedcentral_nih_gov_2968693
source Open Access: PubMed Central
subjects Organic Papers
title Redetermination of 1-benzyl-3-furoyl-1-phenyl-thio-urea
url http://sfxeu10.hosted.exlibrisgroup.com/loughborough?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2024-12-23T18%3A38%3A15IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_pubme&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Redetermination%20of%201-benzyl-3-furoyl-1-phenyl-thio-urea&rft.jtitle=Acta%20crystallographica.%20Section%20E,%20Structure%20reports%20online&rft.au=Est%C3%A9vez-Hern%C3%A1ndez,%20O&rft.date=2009-02-28&rft.volume=65&rft.issue=Pt%203&rft.spage=o648&rft.epage=o648&rft.pages=o648-o648&rft.issn=1600-5368&rft.eissn=1600-5368&rft_id=info:doi/10.1107/S1600536808044085&rft_dat=%3Cproquest_pubme%3E867479467%3C/proquest_pubme%3E%3Cgrp_id%3Ecdi_FETCH-LOGICAL-p180t-ab6bbf59bd638ff79c41c742b893c8cf7b52c4aa3ff3429a20cac7efea6bb9573%3C/grp_id%3E%3Coa%3E%3C/oa%3E%3Curl%3E%3C/url%3E&rft_id=info:oai/&rft_pqid=867479467&rft_id=info:pmid/21582296&rfr_iscdi=true