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dc.contributor.author
Cuffini, Silvia Lucia
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dc.contributor.author
Howie, R. Alan
dc.contributor.author
Tiekink, Edward R. T.
dc.contributor.author
Wardell, James L.
dc.contributor.author
Wardell, Solange M. S. V.
dc.date.available
2024-07-24T13:45:02Z
dc.date.issued
2009-11
dc.identifier.citation
Cuffini, Silvia Lucia; Howie, R. Alan; Tiekink, Edward R. T.; Wardell, James L.; Wardell, Solange M. S. V.; ( S )-6-Chloro-4-cyclopropylethynyl-4-trifluoromethyl-1 H -3,1-benzoxazin-2(4 H )-one; Wiley Blackwell Publishing, Inc; Acta Crystallographica Section E; 65; 12; 11-2009; o3170-o3171
dc.identifier.issn
1600-5368
dc.identifier.uri
http://hdl.handle.net/11336/240756
dc.description.abstract
Two independent molecules comprise the crystallographic asymmetric unit in the title antiretroviral agent Efavirenz, C14H9ClF3NO2, and these have noteworthy differences in conformation. The major difference relates to the orientation of the 2-cyclopropylethynyl residue relative to the sixmembered heterocycle: this approaches an orthogonal disposition in molecule a compared to a more flattened conformation in molecule b, the difference being reflected in the Oring— C—C—Cethyne torsion angles of 65 (4) and 159 (5), respectively. The independent molecules are connected via the eightmembered { HNC (O)}2 amide synthon. Disorder is noted in the cyclopropane ring of molecule b in that two orientations of equal weight were discerned14H9ClF3NO2, and these have noteworthy differences in conformation. The major difference relates to the orientation of the 2-cyclopropylethynyl residue relative to the sixmembered heterocycle: this approaches an orthogonal disposition in molecule a compared to a more flattened conformation in molecule b, the difference being reflected in the Oring— C—C—Cethyne torsion angles of 65 (4) and 159 (5), respectively. The independent molecules are connected via the eightmembered { HNC (O)}2 amide synthon. Disorder is noted in the cyclopropane ring of molecule b in that two orientations of equal weight were discerneda compared to a more flattened conformation in molecule b, the difference being reflected in the Oring— C—C—Cethyne torsion angles of 65 (4) and 159 (5), respectively. The independent molecules are connected via the eightmembered { HNC (O)}2 amide synthon. Disorder is noted in the cyclopropane ring of molecule b in that two orientations of equal weight were discernedb, the difference being reflected in the Oring— C—C—Cethyne torsion angles of 65 (4) and 159 (5), respectively. The independent molecules are connected via the eightmembered { HNC (O)}2 amide synthon. Disorder is noted in the cyclopropane ring of molecule b in that two orientations of equal weight were discernedethyne torsion angles of 65 (4) and 159 (5), respectively. The independent molecules are connected via the eightmembered { HNC (O)}2 amide synthon. Disorder is noted in the cyclopropane ring of molecule b in that two orientations of equal weight were discernedvia the eightmembered { HNC (O)}2 amide synthon. Disorder is noted in the cyclopropane ring of molecule b in that two orientations of equal weight were discerned HNC (O)}2 amide synthon. Disorder is noted in the cyclopropane ring of molecule b in that two orientations of equal weight were discernedb in that two orientations of equal weight were discerned
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Wiley Blackwell Publishing, Inc
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dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
Efavirenz
dc.subject.classification
Otras Ciencias Químicas
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dc.subject.classification
Ciencias Químicas
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dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
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dc.title
( S )-6-Chloro-4-cyclopropylethynyl-4-trifluoromethyl-1 H -3,1-benzoxazin-2(4 H )-one
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2024-07-24T13:16:12Z
dc.journal.volume
65
dc.journal.number
12
dc.journal.pagination
o3170-o3171
dc.journal.pais
Reino Unido
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dc.journal.ciudad
Londres
dc.description.fil
Fil: Cuffini, Silvia Lucia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba; Argentina
dc.description.fil
Fil: Howie, R. Alan. University of Aberdeen; Reino Unido
dc.description.fil
Fil: Tiekink, Edward R. T.. University of Malaya; Malasia
dc.description.fil
Fil: Wardell, James L.. Fundación Oswaldo Cruz; Brasil
dc.description.fil
Fil: Wardell, Solange M. S. V.. No especifíca;
dc.journal.title
Acta Crystallographica Section E
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dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://journals.iucr.org/e/issues/2009/12/00/hg2596/index.html
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1107/S1600536809049101
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