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

Autores
Montani, Rosana Silvia; Garay, Raúl Oscar; Cukiernik, Fabio Daniel; Garland, Maria T.; Baggio, Ricardo Fortunato
Año de publicación
2009
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
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: Montani, Rosana Silvia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; Argentina
Fil: Garay, Raúl Oscar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; Argentina
Fil: Cukiernik, Fabio Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Química Inorgánica, Analítica y Química Física; Argentina
Fil: Garland, Maria T.. Universidad de Chile; Chile
Fil: Baggio, Ricardo Fortunato. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina
Materia
Structure
Mesophase
Dimeric
Hydrogen-Bonding
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/65716
Acceder
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network_name_str CONICET Digital (CONICET)
spelling 4'-[2-(2-Ethoxy-ethoxy)eth-oxy]-bi-phenyl-4-carboxylic acid: Correlation between its crystalline and smectic phasesMontani, Rosana SilviaGaray, Raúl OscarCukiernik, Fabio DanielGarland, Maria T.Baggio, Ricardo FortunatoStructureMesophaseDimericHydrogen-Bondinghttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The 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: Montani, Rosana Silvia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; ArgentinaFil: Garay, Raúl Oscar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; ArgentinaFil: Cukiernik, Fabio Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Química Inorgánica, Analítica y Química Física; ArgentinaFil: Garland, Maria T.. Universidad de Chile; ChileFil: Baggio, Ricardo Fortunato. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; ArgentinaWiley Blackwell Publishing, Inc2009-12info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/65716Montani, Rosana Silvia; Garay, Raúl Oscar; Cukiernik, Fabio Daniel; Garland, Maria T.; Baggio, Ricardo Fortunato; 4'-[2-(2-Ethoxy-ethoxy)eth-oxy]-bi-phenyl-4-carboxylic acid: Correlation between its crystalline and smectic phases; Wiley Blackwell Publishing, Inc; Acta Crystallographica Section C-Crystal Structure Communications; 65; 3; 12-2009; 81-840108-2701CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1107/S0108270109001991info:eu-repo/semantics/altIdentifier/url/http://scripts.iucr.org/cgi-bin/paper?S0108270109001991info:eu-repo/semantics/altIdentifier/url/https://onlinelibrary.wiley.com/doi/full/10.1107/S0108270109001991?sentby=iucrinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T12:04:04Zoai:ri.conicet.gov.ar:11336/65716instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-10-22 12:04:05.278CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv 4'-[2-(2-Ethoxy-ethoxy)eth-oxy]-bi-phenyl-4-carboxylic acid: Correlation between its crystalline and smectic phases
title 4'-[2-(2-Ethoxy-ethoxy)eth-oxy]-bi-phenyl-4-carboxylic acid: Correlation between its crystalline and smectic phases
spellingShingle 4'-[2-(2-Ethoxy-ethoxy)eth-oxy]-bi-phenyl-4-carboxylic acid: Correlation between its crystalline and smectic phases
Montani, Rosana Silvia
Structure
Mesophase
Dimeric
Hydrogen-Bonding
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
dc.creator.none.fl_str_mv Montani, Rosana Silvia
Garay, Raúl Oscar
Cukiernik, Fabio Daniel
Garland, Maria T.
Baggio, Ricardo Fortunato
author Montani, Rosana Silvia
author_facet Montani, Rosana Silvia
Garay, Raúl Oscar
Cukiernik, Fabio Daniel
Garland, Maria T.
Baggio, Ricardo Fortunato
author_role author
author2 Garay, Raúl Oscar
Cukiernik, Fabio Daniel
Garland, Maria T.
Baggio, Ricardo Fortunato
author2_role author
author
author
author
dc.subject.none.fl_str_mv Structure
Mesophase
Dimeric
Hydrogen-Bonding
topic Structure
Mesophase
Dimeric
Hydrogen-Bonding
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv 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: Montani, Rosana Silvia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; Argentina
Fil: Garay, Raúl Oscar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; Argentina
Fil: Cukiernik, Fabio Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Química Inorgánica, Analítica y Química Física; Argentina
Fil: Garland, Maria T.. Universidad de Chile; Chile
Fil: Baggio, Ricardo Fortunato. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina
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.
publishDate 2009
dc.date.none.fl_str_mv 2009-12
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/65716
Montani, Rosana Silvia; Garay, Raúl Oscar; Cukiernik, Fabio Daniel; Garland, Maria T.; Baggio, Ricardo Fortunato; 4'-[2-(2-Ethoxy-ethoxy)eth-oxy]-bi-phenyl-4-carboxylic acid: Correlation between its crystalline and smectic phases; Wiley Blackwell Publishing, Inc; Acta Crystallographica Section C-Crystal Structure Communications; 65; 3; 12-2009; 81-84
0108-2701
CONICET Digital
CONICET
url http://hdl.handle.net/11336/65716
identifier_str_mv Montani, Rosana Silvia; Garay, Raúl Oscar; Cukiernik, Fabio Daniel; Garland, Maria T.; Baggio, Ricardo Fortunato; 4'-[2-(2-Ethoxy-ethoxy)eth-oxy]-bi-phenyl-4-carboxylic acid: Correlation between its crystalline and smectic phases; Wiley Blackwell Publishing, Inc; Acta Crystallographica Section C-Crystal Structure Communications; 65; 3; 12-2009; 81-84
0108-2701
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1107/S0108270109001991
info:eu-repo/semantics/altIdentifier/url/http://scripts.iucr.org/cgi-bin/paper?S0108270109001991
info:eu-repo/semantics/altIdentifier/url/https://onlinelibrary.wiley.com/doi/full/10.1107/S0108270109001991?sentby=iucr
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv Wiley Blackwell Publishing, Inc
publisher.none.fl_str_mv Wiley Blackwell Publishing, Inc
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 12.982451

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