Abstract
The title molecule, C21H26O3, 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 –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 carboxylate –CO2– group allows the formation of an intramolecular hydrogen bond, with O⋯O distances of 2.563 (2) and 2.604 (2) Å.
Highlights
República 275 3er Piso, Santiago, Chile, and eCentro para el Desarrollo de la Nanociencia y la Nanotecnologıa, CEDENNA, Chile
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
The phenyl substituent is almost perpendicular to the carboxylate –CO2 fragment, as reflected by C—O—C—C torsion angles, ranging from 74 to 80
Summary
Programa de Doctorado, Fisico-Quımica Molecular, Universidad Andres Bello, Avenida República 275 Segundo Piso, Santiago, Chile, bDepartamento de Quımica. Facultad de Quımica, Pontificia Universidad Católica, Santiago, Chile, c. Casilla 306 Correo 22, Santiago, Chile, dDepartamento de Ciencias Quımicas, Facultad de Ecologıa y Recursos Naturales, Universidad Andres Bello, Avenida. República 275 3er Piso, Santiago, Chile, and eCentro para el Desarrollo de la Nanociencia y la Nanotecnologıa, CEDENNA, Chile
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