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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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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 |
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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 |
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