Monoclinic polymorph of 2-(pyrimidin-2-ylsulfan-yl)acetic acid

Bibliographic Details
Main Author: Silva, Manuela Ramos
Publication Date: 2011
Other Authors: Silva, Pedro S. Pereira da, Yuste, Consuelo, Paixão, J. A.
Format: Article
Language: eng
Source: Repositórios Científicos de Acesso Aberto de Portugal (RCAAP)
Download full: http://hdl.handle.net/10316/109982
https://doi.org/10.1107/S1600536811000651
Summary: The title compound, C(6)H(6)N(2)O(2)S, is a new polymorphic form of 2-(pyrimidin-2-ylsulfan-yl)acetic acid. Unlike the previous orthorhombic polymorph [Pan & Chen (2009 ▶) Acta Cryst. E65, o652], the mol-ecules are not planar: the aromatic ring makes an angle of 80.67 (17)° with the carboxyl plane. In the crystal, mol-ecules are linked by O-H⋯N hydrogen bonds into chains along [02].
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spelling Monoclinic polymorph of 2-(pyrimidin-2-ylsulfan-yl)acetic acidsingle-crystal X-ray studyT = 293 K; mean (C–C) = 0.004 A°R factor = 0.054wR factor = 0.133data-to-parameter ratio = 16.9The title compound, C(6)H(6)N(2)O(2)S, is a new polymorphic form of 2-(pyrimidin-2-ylsulfan-yl)acetic acid. Unlike the previous orthorhombic polymorph [Pan & Chen (2009 ▶) Acta Cryst. E65, o652], the mol-ecules are not planar: the aromatic ring makes an angle of 80.67 (17)° with the carboxyl plane. In the crystal, mol-ecules are linked by O-H⋯N hydrogen bonds into chains along [02].International Union of Crystallography2011-01-12info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttp://hdl.handle.net/10316/109982http://hdl.handle.net/10316/109982https://doi.org/10.1107/S1600536811000651eng1600-5368Silva, Manuela RamosSilva, Pedro S. Pereira daYuste, ConsueloPaixão, 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:RCAAP2023-11-10T09:13:07Zoai:estudogeral.uc.pt:10316/109982Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireinfo@rcaap.ptopendoar:https://opendoar.ac.uk/repository/71602025-05-29T06:01:39.048504Repositórios 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 Monoclinic polymorph of 2-(pyrimidin-2-ylsulfan-yl)acetic acid
title Monoclinic polymorph of 2-(pyrimidin-2-ylsulfan-yl)acetic acid
spellingShingle Monoclinic polymorph of 2-(pyrimidin-2-ylsulfan-yl)acetic acid
Silva, Manuela Ramos
single-crystal X-ray study
T = 293 K; mean (C–C) = 0.004 A°
R factor = 0.054
wR factor = 0.133
data-to-parameter ratio = 16.9
title_short Monoclinic polymorph of 2-(pyrimidin-2-ylsulfan-yl)acetic acid
title_full Monoclinic polymorph of 2-(pyrimidin-2-ylsulfan-yl)acetic acid
title_fullStr Monoclinic polymorph of 2-(pyrimidin-2-ylsulfan-yl)acetic acid
title_full_unstemmed Monoclinic polymorph of 2-(pyrimidin-2-ylsulfan-yl)acetic acid
title_sort Monoclinic polymorph of 2-(pyrimidin-2-ylsulfan-yl)acetic acid
author Silva, Manuela Ramos
author_facet Silva, Manuela Ramos
Silva, Pedro S. Pereira da
Yuste, Consuelo
Paixão, J. A.
author_role author
author2 Silva, Pedro S. Pereira da
Yuste, Consuelo
Paixão, J. A.
author2_role author
author
author
dc.contributor.author.fl_str_mv Silva, Manuela Ramos
Silva, Pedro S. Pereira da
Yuste, Consuelo
Paixão, J. A.
dc.subject.por.fl_str_mv single-crystal X-ray study
T = 293 K; mean (C–C) = 0.004 A°
R factor = 0.054
wR factor = 0.133
data-to-parameter ratio = 16.9
topic single-crystal X-ray study
T = 293 K; mean (C–C) = 0.004 A°
R factor = 0.054
wR factor = 0.133
data-to-parameter ratio = 16.9
description The title compound, C(6)H(6)N(2)O(2)S, is a new polymorphic form of 2-(pyrimidin-2-ylsulfan-yl)acetic acid. Unlike the previous orthorhombic polymorph [Pan & Chen (2009 ▶) Acta Cryst. E65, o652], the mol-ecules are not planar: the aromatic ring makes an angle of 80.67 (17)° with the carboxyl plane. In the crystal, mol-ecules are linked by O-H⋯N hydrogen bonds into chains along [02].
publishDate 2011
dc.date.none.fl_str_mv 2011-01-12
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 http://hdl.handle.net/10316/109982
http://hdl.handle.net/10316/109982
https://doi.org/10.1107/S1600536811000651
url http://hdl.handle.net/10316/109982
https://doi.org/10.1107/S1600536811000651
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
_version_ 1833602552711610368

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