Pyromellitic acid-sarcosine (1/2)

Detalhes bibliográficos
Autor(a) principal: Domingos, S. R.
Data de Publicação: 2008
Outros Autores: Silva, Manuela Ramos, Martins, Nuno D., Beja, Ana Matos, Paixão, J. A.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositórios Científicos de Acesso Aberto de Portugal (RCAAP)
Texto Completo: https://hdl.handle.net/10316/110434
https://doi.org/10.1107/S1600536808009045
Resumo: The title compound, C(10)H(6)O(8)·2C(3)H(7)NO(2), crystallizes as an adduct with the acid and amino acid mol-ecules in their neutral forms. The asymmetric unit contains one half of a centrosymmetric pyromellitic acid mol-ecule and one sarcosine mol-ecule. The sarcosine has the amine group protonated and the carboxyl group deprotonated, as is usual for amino acids (zwitterionic form). The pyromellitic acid mol-ecules retain the four carboxyl H atoms with the carboxyl groups rotated out of the ring plane [O-C-C-C torsion angles = 24.1 (3) and 61.6 (2)°]. There is a three-dimensional hydrogen-bond network linking the mol-ecules.
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spelling Pyromellitic acid-sarcosine (1/2)single-crystal X-ray studyT = 293 K; mean (C–C) = 0.002 A°R factor = 0.042wR factor = 0.115data-to-parameter ratio = 14.2The title compound, C(10)H(6)O(8)·2C(3)H(7)NO(2), crystallizes as an adduct with the acid and amino acid mol-ecules in their neutral forms. The asymmetric unit contains one half of a centrosymmetric pyromellitic acid mol-ecule and one sarcosine mol-ecule. The sarcosine has the amine group protonated and the carboxyl group deprotonated, as is usual for amino acids (zwitterionic form). The pyromellitic acid mol-ecules retain the four carboxyl H atoms with the carboxyl groups rotated out of the ring plane [O-C-C-C torsion angles = 24.1 (3) and 61.6 (2)°]. There is a three-dimensional hydrogen-bond network linking the mol-ecules.International Union of Crystallography2008-04-10info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttps://hdl.handle.net/10316/110434https://hdl.handle.net/10316/110434https://doi.org/10.1107/S1600536808009045eng1600-5368Domingos, S. R.Silva, Manuela RamosMartins, Nuno D.Beja, Ana MatosPaixão, J. A.info:eu-repo/semantics/openAccessreponame:Repositórios Científicos de Acesso Aberto de Portugal (RCAAP)instname:FCCN, serviços digitais da FCT – Fundação para a Ciência e a Tecnologiainstacron:RCAAP2023-11-23T12:02:46Zoai:estudogeral.uc.pt:10316/110434Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireinfo@rcaap.ptopendoar:https://opendoar.ac.uk/repository/71602025-05-29T06:02:25.969260Repositórios Científicos de Acesso Aberto de Portugal (RCAAP) - FCCN, serviços digitais da FCT – Fundação para a Ciência e a Tecnologiafalse
dc.title.none.fl_str_mv Pyromellitic acid-sarcosine (1/2)
title Pyromellitic acid-sarcosine (1/2)
spellingShingle Pyromellitic acid-sarcosine (1/2)
Domingos, S. R.
single-crystal X-ray study
T = 293 K; mean (C–C) = 0.002 A°
R factor = 0.042
wR factor = 0.115
data-to-parameter ratio = 14.2
title_short Pyromellitic acid-sarcosine (1/2)
title_full Pyromellitic acid-sarcosine (1/2)
title_fullStr Pyromellitic acid-sarcosine (1/2)
title_full_unstemmed Pyromellitic acid-sarcosine (1/2)
title_sort Pyromellitic acid-sarcosine (1/2)
author Domingos, S. R.
author_facet Domingos, S. R.
Silva, Manuela Ramos
Martins, Nuno D.
Beja, Ana Matos
Paixão, J. A.
author_role author
author2 Silva, Manuela Ramos
Martins, Nuno D.
Beja, Ana Matos
Paixão, J. A.
author2_role author
author
author
author
dc.contributor.author.fl_str_mv Domingos, S. R.
Silva, Manuela Ramos
Martins, Nuno D.
Beja, Ana Matos
Paixão, J. A.
dc.subject.por.fl_str_mv single-crystal X-ray study
T = 293 K; mean (C–C) = 0.002 A°
R factor = 0.042
wR factor = 0.115
data-to-parameter ratio = 14.2
topic single-crystal X-ray study
T = 293 K; mean (C–C) = 0.002 A°
R factor = 0.042
wR factor = 0.115
data-to-parameter ratio = 14.2
description The title compound, C(10)H(6)O(8)·2C(3)H(7)NO(2), crystallizes as an adduct with the acid and amino acid mol-ecules in their neutral forms. The asymmetric unit contains one half of a centrosymmetric pyromellitic acid mol-ecule and one sarcosine mol-ecule. The sarcosine has the amine group protonated and the carboxyl group deprotonated, as is usual for amino acids (zwitterionic form). The pyromellitic acid mol-ecules retain the four carboxyl H atoms with the carboxyl groups rotated out of the ring plane [O-C-C-C torsion angles = 24.1 (3) and 61.6 (2)°]. There is a three-dimensional hydrogen-bond network linking the mol-ecules.
publishDate 2008
dc.date.none.fl_str_mv 2008-04-10
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv https://hdl.handle.net/10316/110434
https://hdl.handle.net/10316/110434
https://doi.org/10.1107/S1600536808009045
url https://hdl.handle.net/10316/110434
https://doi.org/10.1107/S1600536808009045
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 1600-5368
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv International Union of Crystallography
publisher.none.fl_str_mv International Union of Crystallography
dc.source.none.fl_str_mv reponame:Repositórios Científicos de Acesso Aberto de Portugal (RCAAP)
instname:FCCN, serviços digitais da FCT – Fundação para a Ciência e a Tecnologia
instacron:RCAAP
instname_str FCCN, serviços digitais da FCT – Fundação para a Ciência e a Tecnologia
instacron_str RCAAP
institution RCAAP
reponame_str Repositórios Científicos de Acesso Aberto de Portugal (RCAAP)
collection Repositórios Científicos de Acesso Aberto de Portugal (RCAAP)
repository.name.fl_str_mv Repositórios Científicos de Acesso Aberto de Portugal (RCAAP) - FCCN, serviços digitais da FCT – Fundação para a Ciência e a Tecnologia
repository.mail.fl_str_mv info@rcaap.pt
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