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Phenyl 3,5-di-tert-butyl-2-hydroxybenzoate
The title molecule, C(21)H(26)O(3), has a six-membered planar carbon ring as the central core, substituted at position 1 with phenoxycarbonyl, at position 2 with hydroxy and at positions 3 and 5 with tert-butyl groups. The structure shows two independent but very similar molecules within the as...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011503/ https://www.ncbi.nlm.nih.gov/pubmed/21589569 http://dx.doi.org/10.1107/S1600536810044028 |
Sumario: | The title molecule, C(21)H(26)O(3), has a six-membered planar carbon ring as the central core, substituted at position 1 with phenoxycarbonyl, at position 2 with hydroxy and at positions 3 and 5 with tert-butyl groups. The structure shows two independent but very similar molecules within the asymmetric unit. For both independent molecules, the ester carboxylate 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 carboxylate –CO(2) 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 carboxylate –CO(2)– group allows the formation of an intramolecular hydrogen bond, with O⋯O distances of 2.563 (2) and 2.604 (2) Å. |
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