4´-[2-(2-Ethoxyethoxy)ethoxy]biphenyl-4-carboxylicacid: correlation between its crystalline and smectic phases

ROSANA S. MONTANI; RAÚL O. GARAY; FABIO D. CUKIERNIK; MARÍA T. GARLAND; RICARDO BAGGIO

ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS

International Union of Crystallography

Año: 2009 vol. 65 p. 81 - 84

0108-2701

The crystal structure of the dimeric title compound, C19H22O5, is dominated by a head-to-head hydrogen-bonding interaction between centrosymmetrically related carboxyl groups in each monomer. The result is a dimeric axis of unusual length (ca 34 A¢ª ), but still shorter than what could be expected for a fully extended chain, owing to two turning points in the oligoethoxy ends. This allows for an explanation of the structure of the smectic mesophase exhibited by this compound and at the same time fully validates former geometric estimations based on PM3 calculations.19H22O5, is dominated by a head-to-head hydrogen-bonding interaction between centrosymmetrically related carboxyl groups in each monomer. The result is a dimeric axis of unusual length (ca 34 A¢ª ), but still shorter than what could be expected for a fully extended chain, owing to two turning points in the oligoethoxy ends. This allows for an explanation of the structure of the smectic mesophase exhibited by this compound and at the same time fully validates former geometric estimations based on PM3 calculations.