Phenyl 3,5-di-tert-butyl-2-hydroxy-benzoate

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dc.contributor.authorCarreño, Alexander
dc.contributor.authorPreite, Marcelo
dc.contributor.authorManriquez, Juan Manuel
dc.contributor.authorVega, Andrés
dc.contributor.authorChavez, Ivonne
dc.date.accessioned2025-05-09T21:27:42Z
dc.date.available2025-05-09T21:27:42Z
dc.date.issued2010-12
dc.descriptionIndexación: Scopus
dc.description.abstractThe title mol-ecule, C21H26O3, has a six-membered planar carbon ring as the central core, substituted at position 1 with phen-oxy-carbonyl, at position 2 with hy-droxy and at positions 3 and 5 with tert-butyl groups. The structure shows two independent but very similar mol-ecules within the asymmetric unit. For both independent mol-ecules, the ester carboxyl-ate group is coplanar with the central core, as reflected by the small C - C - O - C torsion angles [179.95 (17) and 173.70 (17)°]. In contrast, the phenyl substituent is almost perpendicular to the carboxyl-ate -CO2 fragment, as reflected by C - O - C - C torsion angles, ranging from 74 to 80°. The coplanarity between the central aromatic ring and the ester carboxyl-ate -CO2- group allows the formation of an intra-molecular hydrogen bond, with O⋯O distances of 2.563 (2) and 2.604 (2) Å.
dc.description.accesoabiertoSi
dc.description.urihttps://journals.iucr.org/e/issues/2010/12/00/om2371/index.html
dc.identifier.citationActa Crystallographica Section E: Structure Reports Online. Volume 66, Issue 12, Pages o3290. December 2010
dc.identifier.doiDOI 10.1107/S1600536810044028
dc.identifier.issn1600-5368
dc.identifier.urihttps://repositorio.unab.cl/handle/ria/64593
dc.language.isoen
dc.publisherInternational Union of Crystallography
dc.rights.licenseAttribution 2.0 UK: England & Wales Deed (CC BY 2.0 UK)
dc.rights.urihttps://creativecommons.org/licenses/by/2.0/uk/
dc.subjectMol-ecule, C21H26O3
dc.subjectStructure Activity Relationship
dc.subjectNaphthoquinone
dc.subjectAnticarcinogen
dc.titlePhenyl 3,5-di-tert-butyl-2-hydroxy-benzoate
dc.typeArtículo
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