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2-Amino-6-methylpyridinium 3-chlorobenzoate
In the title salt, C(6)H(9)N(2) (+)·C(7)H(4)ClO(2) (−), the 3-chlorobenzoate anion shows a whole-molecule disorder over two positions with a refined occupancy ratio of 0.505 (4):0.495 (4). In the crystal, the cations and anions are linked via N—H⋯O hydrogen bonds, forming a centrosymmetric 2 + 2 a...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588495/ https://www.ncbi.nlm.nih.gov/pubmed/23476517 http://dx.doi.org/10.1107/S1600536813002559 |
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author | Thanigaimani, Kaliyaperumal Khalib, Nuridayanti Che Arshad, Suhana Razak, Ibrahim Abdul |
author_facet | Thanigaimani, Kaliyaperumal Khalib, Nuridayanti Che Arshad, Suhana Razak, Ibrahim Abdul |
author_sort | Thanigaimani, Kaliyaperumal |
collection | PubMed |
description | In the title salt, C(6)H(9)N(2) (+)·C(7)H(4)ClO(2) (−), the 3-chlorobenzoate anion shows a whole-molecule disorder over two positions with a refined occupancy ratio of 0.505 (4):0.495 (4). In the crystal, the cations and anions are linked via N—H⋯O hydrogen bonds, forming a centrosymmetric 2 + 2 aggregate with R (2) (2)(8) and R (4) (2)(8) ring motifs. The crystal structure also features a π–π stacking interaction between the pyridinium rings with a centroid–centroid distance of 3.8339 (9) Å. |
format | Online Article Text |
id | pubmed-3588495 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-35884952013-03-08 2-Amino-6-methylpyridinium 3-chlorobenzoate Thanigaimani, Kaliyaperumal Khalib, Nuridayanti Che Arshad, Suhana Razak, Ibrahim Abdul Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title salt, C(6)H(9)N(2) (+)·C(7)H(4)ClO(2) (−), the 3-chlorobenzoate anion shows a whole-molecule disorder over two positions with a refined occupancy ratio of 0.505 (4):0.495 (4). In the crystal, the cations and anions are linked via N—H⋯O hydrogen bonds, forming a centrosymmetric 2 + 2 aggregate with R (2) (2)(8) and R (4) (2)(8) ring motifs. The crystal structure also features a π–π stacking interaction between the pyridinium rings with a centroid–centroid distance of 3.8339 (9) Å. International Union of Crystallography 2013-02-02 /pmc/articles/PMC3588495/ /pubmed/23476517 http://dx.doi.org/10.1107/S1600536813002559 Text en © Thanigaimani et al. 2013 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 Thanigaimani, Kaliyaperumal Khalib, Nuridayanti Che Arshad, Suhana Razak, Ibrahim Abdul 2-Amino-6-methylpyridinium 3-chlorobenzoate |
title | 2-Amino-6-methylpyridinium 3-chlorobenzoate |
title_full | 2-Amino-6-methylpyridinium 3-chlorobenzoate |
title_fullStr | 2-Amino-6-methylpyridinium 3-chlorobenzoate |
title_full_unstemmed | 2-Amino-6-methylpyridinium 3-chlorobenzoate |
title_short | 2-Amino-6-methylpyridinium 3-chlorobenzoate |
title_sort | 2-amino-6-methylpyridinium 3-chlorobenzoate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588495/ https://www.ncbi.nlm.nih.gov/pubmed/23476517 http://dx.doi.org/10.1107/S1600536813002559 |
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