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artículos
Título:
Synthesis and crystallographic, spectroscopic and computational characterization of 3,3?,4,4?-substituted biphenyls: effects of OR substituents on the intra-ring torsion angle
Autor/es:
NAHIR VADRA; SEBASTIÁN A. SUÁREZ*; LEONARDO D. SLEP; VERONICA E. MANZANO; EMILIA HALAC; BAGGIO, RICARDO; CUKIERNIK, FABIO D.*
Revista:
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE
Editorial:
WILEY-BLACKWELL PUBLISHING, INC
Referencias:
Lugar: Londres; Año: 2020
ISSN:
0108-7681
Resumen:
In this work we synthesize, characterize and study the structure of a series of biphenyls substituted in positions 3,3´,4,4´- with a variety of R- groups connected to the biphenyl core through oxygen atoms (R: methyl, acetyl, hexyl). The molecular conformation, particularly the torsion angle between aromatic rings has been extensively studied both in the solid as well as in the liquid state. The results show that the compounds appearing as rigorously planar in the solid present instead of a twisted conformation in the melt. The solid vs melt issue strongly suggests that the reasons for planarity are to be found in the packing restraints. A ?rule of thumb? is suggested for the design of biphenyls with different molecular conformations, based on the selection of the OR substituent.
