Cargando…

2-Amino-3-(hy­droxy­meth­yl)pyridinium 2-benzoyl­benzoate monohydrate

In the title hydrated salt, C(6)H(9)N(2)O(+)·C(14)H(9)O(3) (−)·H(2)O, the dihedral angle between the benzene rings of the 2-benzoyl­benzoate anion is 82.04 (14)°, while the angles between the aromatic ring of the pyridinium cation and each of the benzene rings of the anion are 4.42 (14) and 82.04 (1...

Descripción completa

Detalles Bibliográficos
Autores principales: Odabaşoğlu, Hakkı Yasin, Büyükgüngör, Orhan, Avinç, Osman Ozan, Odabaşoğlu, Mustafa
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3295483/
https://www.ncbi.nlm.nih.gov/pubmed/22412594
http://dx.doi.org/10.1107/S1600536812005612
_version_ 1782225588134608896
author Odabaşoğlu, Hakkı Yasin
Büyükgüngör, Orhan
Avinç, Osman Ozan
Odabaşoğlu, Mustafa
author_facet Odabaşoğlu, Hakkı Yasin
Büyükgüngör, Orhan
Avinç, Osman Ozan
Odabaşoğlu, Mustafa
author_sort Odabaşoğlu, Hakkı Yasin
collection PubMed
description In the title hydrated salt, C(6)H(9)N(2)O(+)·C(14)H(9)O(3) (−)·H(2)O, the dihedral angle between the benzene rings of the 2-benzoyl­benzoate anion is 82.04 (14)°, while the angles between the aromatic ring of the pyridinium cation and each of the benzene rings of the anion are 4.42 (14) and 82.04 (14)°. In the crystal, mol­ecules are linked by N—H⋯O and O—H⋯O hydrogen bonds, generating a three-dimensional network with R (2) (2)(8), R (6) (6)(16) and R (4) (4)(6) motifs. The crystal packing is further stabilized by two π–π inter­actions, one between pyridinium rings, and another between the benzene benzoate and pyridinium rings of neighbouring mol­ecules, with centroid-to-centroid distances of 3.559 (2) and 3.606 (2) Å, respectively.
format Online
Article
Text
id pubmed-3295483
institution National Center for Biotechnology Information
language English
publishDate 2012
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-32954832012-03-12 2-Amino-3-(hy­droxy­meth­yl)pyridinium 2-benzoyl­benzoate monohydrate Odabaşoğlu, Hakkı Yasin Büyükgüngör, Orhan Avinç, Osman Ozan Odabaşoğlu, Mustafa Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title hydrated salt, C(6)H(9)N(2)O(+)·C(14)H(9)O(3) (−)·H(2)O, the dihedral angle between the benzene rings of the 2-benzoyl­benzoate anion is 82.04 (14)°, while the angles between the aromatic ring of the pyridinium cation and each of the benzene rings of the anion are 4.42 (14) and 82.04 (14)°. In the crystal, mol­ecules are linked by N—H⋯O and O—H⋯O hydrogen bonds, generating a three-dimensional network with R (2) (2)(8), R (6) (6)(16) and R (4) (4)(6) motifs. The crystal packing is further stabilized by two π–π inter­actions, one between pyridinium rings, and another between the benzene benzoate and pyridinium rings of neighbouring mol­ecules, with centroid-to-centroid distances of 3.559 (2) and 3.606 (2) Å, respectively. International Union of Crystallography 2012-02-17 /pmc/articles/PMC3295483/ /pubmed/22412594 http://dx.doi.org/10.1107/S1600536812005612 Text en © Odabaşoğlu et al. 2012 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
Odabaşoğlu, Hakkı Yasin
Büyükgüngör, Orhan
Avinç, Osman Ozan
Odabaşoğlu, Mustafa
2-Amino-3-(hy­droxy­meth­yl)pyridinium 2-benzoyl­benzoate monohydrate
title 2-Amino-3-(hy­droxy­meth­yl)pyridinium 2-benzoyl­benzoate monohydrate
title_full 2-Amino-3-(hy­droxy­meth­yl)pyridinium 2-benzoyl­benzoate monohydrate
title_fullStr 2-Amino-3-(hy­droxy­meth­yl)pyridinium 2-benzoyl­benzoate monohydrate
title_full_unstemmed 2-Amino-3-(hy­droxy­meth­yl)pyridinium 2-benzoyl­benzoate monohydrate
title_short 2-Amino-3-(hy­droxy­meth­yl)pyridinium 2-benzoyl­benzoate monohydrate
title_sort 2-amino-3-(hy­droxy­meth­yl)pyridinium 2-benzoyl­benzoate monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3295483/
https://www.ncbi.nlm.nih.gov/pubmed/22412594
http://dx.doi.org/10.1107/S1600536812005612
work_keys_str_mv AT odabasogluhakkıyasin 2amino3hydroxymethylpyridinium2benzoylbenzoatemonohydrate
AT buyukgungororhan 2amino3hydroxymethylpyridinium2benzoylbenzoatemonohydrate
AT avincosmanozan 2amino3hydroxymethylpyridinium2benzoylbenzoatemonohydrate
AT odabasoglumustafa 2amino3hydroxymethylpyridinium2benzoylbenzoatemonohydrate