Guanidinium 4-amino­benzoate

In the title compound, CH(6)N(3) (+)·C(7)H(6)NO(2) (−), the cation and anion lie on crystallographic mirror planes. The 4-amino­benzoate anion is almost in a planar conformation with a maximum deviation of 0.024 (2) Å for the N atom. The bond length in the deprotonated carboxyl group is inter­mediat...

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Detalles Bibliográficos
Autores principales: Pereira Silva, P. S., Ramos Silva, M., Paixão, J. A., Matos Beja, A.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983752/
https://www.ncbi.nlm.nih.gov/pubmed/21580297
http://dx.doi.org/10.1107/S160053681000396X
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author Pereira Silva, P. S.
Ramos Silva, M.
Paixão, J. A.
Matos Beja, A.
author_facet Pereira Silva, P. S.
Ramos Silva, M.
Paixão, J. A.
Matos Beja, A.
author_sort Pereira Silva, P. S.
collection PubMed
description In the title compound, CH(6)N(3) (+)·C(7)H(6)NO(2) (−), the cation and anion lie on crystallographic mirror planes. The 4-amino­benzoate anion is almost in a planar conformation with a maximum deviation of 0.024 (2) Å for the N atom. The bond length in the deprotonated carboxyl group is inter­mediate between those of normal single and double Csp(2)=O bonds, indicating delocalization of the charge over both O atoms of the COO(−) group. In the crystal, N—H⋯O hydrogen bonds assemble the ions in layers propagating in the bc plane. This structure is very similar to that of guanidinium benzoate.
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spelling pubmed-29837522010-12-30 Guanidinium 4-amino­benzoate Pereira Silva, P. S. Ramos Silva, M. Paixão, J. A. Matos Beja, A. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, CH(6)N(3) (+)·C(7)H(6)NO(2) (−), the cation and anion lie on crystallographic mirror planes. The 4-amino­benzoate anion is almost in a planar conformation with a maximum deviation of 0.024 (2) Å for the N atom. The bond length in the deprotonated carboxyl group is inter­mediate between those of normal single and double Csp(2)=O bonds, indicating delocalization of the charge over both O atoms of the COO(−) group. In the crystal, N—H⋯O hydrogen bonds assemble the ions in layers propagating in the bc plane. This structure is very similar to that of guanidinium benzoate. International Union of Crystallography 2010-02-06 /pmc/articles/PMC2983752/ /pubmed/21580297 http://dx.doi.org/10.1107/S160053681000396X Text en © Pereira Silva et al. 2010 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Pereira Silva, P. S.
Ramos Silva, M.
Paixão, J. A.
Matos Beja, A.
Guanidinium 4-amino­benzoate
title Guanidinium 4-amino­benzoate
title_full Guanidinium 4-amino­benzoate
title_fullStr Guanidinium 4-amino­benzoate
title_full_unstemmed Guanidinium 4-amino­benzoate
title_short Guanidinium 4-amino­benzoate
title_sort guanidinium 4-amino­benzoate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983752/
https://www.ncbi.nlm.nih.gov/pubmed/21580297
http://dx.doi.org/10.1107/S160053681000396X
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AT ramossilvam guanidinium4aminobenzoate
AT paixaoja guanidinium4aminobenzoate
AT matosbejaa guanidinium4aminobenzoate

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