4'-[2-(2-Ethoxy-ethoxy)eth-oxy]-bi-phenyl-4-carboxylic acid: Correlation between its crystalline and smectic phases

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The crystal structure of the dimeric title compound, C19H 22O5H, is dominated by a head-to-head hydrogen-bonding inter-action between centrosymmetrically related carboxyl groups in each monomer. The result is a dimeric axis of unusual length (ca 34 Å), but still shorter than what could be expected f...

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Autores principales: Montani, R.S., Garay, R.O., Cukiernik, F.D., Garland, M.T., Baggio, R.
Formato: Artículo publishedVersion
Lenguaje:Inglés
Publicado: 2009
Materias:
Carboxylic acids
Hydrogen
Organic acids
Carboxyl groups
Hydrogen bondings
Pm3 calculations
Smectic mesophase
Smectic phasis
Title compounds
Turning points
Crystal structure
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_01082701_v65_n3_po81_Montani
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id paperaa:paper_01082701_v65_n3_po81_Montani
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spelling paperaa:paper_01082701_v65_n3_po81_Montani2023-06-12T16:46:36Z 4'-[2-(2-Ethoxy-ethoxy)eth-oxy]-bi-phenyl-4-carboxylic acid: Correlation between its crystalline and smectic phases Acta Crystallogr Sect C Cryst Struct Commun 2009;65(3):o81-o84 Montani, R.S. Garay, R.O. Cukiernik, F.D. Garland, M.T. Baggio, R. Carboxylic acids Hydrogen Organic acids Carboxyl groups Hydrogen bondings Pm3 calculations Smectic mesophase Smectic phasis Title compounds Turning points Crystal structure The crystal structure of the dimeric title compound, C19H 22O5H, is dominated by a head-to-head hydrogen-bonding inter-action between centrosymmetrically related carboxyl groups in each monomer. The result is a dimeric axis of unusual length (ca 34 Å), but still shorter than what could be expected for a fully extended chain, owing to two turning points in the oligo-eth-oxy 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. © 2009 International Union of Crystallography. Fil:Cukiernik, F.D. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. 2009 info:eu-repo/semantics/article info:ar-repo/semantics/artículo info:eu-repo/semantics/publishedVersion application/pdf eng info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_01082701_v65_n3_po81_Montani
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
language Inglés
orig_language_str_mv eng
topic Carboxylic acids
Hydrogen
Organic acids
Carboxyl groups
Hydrogen bondings
Pm3 calculations
Smectic mesophase
Smectic phasis
Title compounds
Turning points
Crystal structure
spellingShingle Carboxylic acids
Hydrogen
Organic acids
Carboxyl groups
Hydrogen bondings
Pm3 calculations
Smectic mesophase
Smectic phasis
Title compounds
Turning points
Crystal structure
Montani, R.S.
Garay, R.O.
Cukiernik, F.D.
Garland, M.T.
Baggio, R.
4'-[2-(2-Ethoxy-ethoxy)eth-oxy]-bi-phenyl-4-carboxylic acid: Correlation between its crystalline and smectic phases
topic_facet Carboxylic acids
Hydrogen
Organic acids
Carboxyl groups
Hydrogen bondings
Pm3 calculations
Smectic mesophase
Smectic phasis
Title compounds
Turning points
Crystal structure
description The crystal structure of the dimeric title compound, C19H 22O5H, is dominated by a head-to-head hydrogen-bonding inter-action between centrosymmetrically related carboxyl groups in each monomer. The result is a dimeric axis of unusual length (ca 34 Å), but still shorter than what could be expected for a fully extended chain, owing to two turning points in the oligo-eth-oxy 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. © 2009 International Union of Crystallography.
format Artículo
Artículo
publishedVersion
author Montani, R.S.
Garay, R.O.
Cukiernik, F.D.
Garland, M.T.
Baggio, R.
author_facet Montani, R.S.
Garay, R.O.
Cukiernik, F.D.
Garland, M.T.
Baggio, R.
author_sort Montani, R.S.
title 4'-[2-(2-Ethoxy-ethoxy)eth-oxy]-bi-phenyl-4-carboxylic acid: Correlation between its crystalline and smectic phases
title_short 4'-[2-(2-Ethoxy-ethoxy)eth-oxy]-bi-phenyl-4-carboxylic acid: Correlation between its crystalline and smectic phases
title_full 4'-[2-(2-Ethoxy-ethoxy)eth-oxy]-bi-phenyl-4-carboxylic acid: Correlation between its crystalline and smectic phases
title_fullStr 4'-[2-(2-Ethoxy-ethoxy)eth-oxy]-bi-phenyl-4-carboxylic acid: Correlation between its crystalline and smectic phases
title_full_unstemmed 4'-[2-(2-Ethoxy-ethoxy)eth-oxy]-bi-phenyl-4-carboxylic acid: Correlation between its crystalline and smectic phases
title_sort 4'-[2-(2-ethoxy-ethoxy)eth-oxy]-bi-phenyl-4-carboxylic acid: correlation between its crystalline and smectic phases
publishDate 2009
url http://hdl.handle.net/20.500.12110/paper_01082701_v65_n3_po81_Montani
work_keys_str_mv AT montanirs 422ethoxyethoxyethoxybiphenyl4carboxylicacidcorrelationbetweenitscrystallineandsmecticphases
AT garayro 422ethoxyethoxyethoxybiphenyl4carboxylicacidcorrelationbetweenitscrystallineandsmecticphases
AT cukiernikfd 422ethoxyethoxyethoxybiphenyl4carboxylicacidcorrelationbetweenitscrystallineandsmecticphases
AT garlandmt 422ethoxyethoxyethoxybiphenyl4carboxylicacidcorrelationbetweenitscrystallineandsmecticphases
AT baggior 422ethoxyethoxyethoxybiphenyl4carboxylicacidcorrelationbetweenitscrystallineandsmecticphases
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