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4-Carbamoylpyridin-1-ium 2,2,2-trichloroacetate–isonicotinamide (1/1)
In the crystal structure of the title 1:1 co-crystal, C(6)H(7)N(2)O(+)·C(2)Cl(3)O(2) (−)·C(6)H(6)N(2)O, the amide groups of the 4-carbamoylpyridin-1-ium ion and the isonicotinamide molecule are twisted out of the plane of the aromatic ring with C—C—C—N torsion angles of 21.5 (4) and −33.5 (4)°, res...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2012
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435842/ https://www.ncbi.nlm.nih.gov/pubmed/22969688 http://dx.doi.org/10.1107/S1600536812037002 |
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author | Perdih, Franc |
author_facet | Perdih, Franc |
author_sort | Perdih, Franc |
collection | PubMed |
description | In the crystal structure of the title 1:1 co-crystal, C(6)H(7)N(2)O(+)·C(2)Cl(3)O(2) (−)·C(6)H(6)N(2)O, the amide groups of the 4-carbamoylpyridin-1-ium ion and the isonicotinamide molecule are twisted out of the plane of the aromatic ring with C—C—C—N torsion angles of 21.5 (4) and −33.5 (4)°, respectively. The 4-carbamoylpyridin-1-ium and isonicotinamide amide groups form R (2) (2)(8) hydrogen-bonded dimers via N—H⋯O=C interactions. The two remaining amide H atoms (i) link dimers via the cation to an isonicotinamide and (ii) from the isonicotinamide to a trichloroacetate anion. The pyridinium H atom also forms an N—H⋯O hydrogen bond with the trichloroacetate anion. Due to the extended hydrogen bonding, including C—H⋯O and C—H⋯Cl interactions, all components in the structure aggregate into a three-dimensional supramolecular framework. |
format | Online Article Text |
id | pubmed-3435842 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-34358422012-09-11 4-Carbamoylpyridin-1-ium 2,2,2-trichloroacetate–isonicotinamide (1/1) Perdih, Franc Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal structure of the title 1:1 co-crystal, C(6)H(7)N(2)O(+)·C(2)Cl(3)O(2) (−)·C(6)H(6)N(2)O, the amide groups of the 4-carbamoylpyridin-1-ium ion and the isonicotinamide molecule are twisted out of the plane of the aromatic ring with C—C—C—N torsion angles of 21.5 (4) and −33.5 (4)°, respectively. The 4-carbamoylpyridin-1-ium and isonicotinamide amide groups form R (2) (2)(8) hydrogen-bonded dimers via N—H⋯O=C interactions. The two remaining amide H atoms (i) link dimers via the cation to an isonicotinamide and (ii) from the isonicotinamide to a trichloroacetate anion. The pyridinium H atom also forms an N—H⋯O hydrogen bond with the trichloroacetate anion. Due to the extended hydrogen bonding, including C—H⋯O and C—H⋯Cl interactions, all components in the structure aggregate into a three-dimensional supramolecular framework. International Union of Crystallography 2012-08-31 /pmc/articles/PMC3435842/ /pubmed/22969688 http://dx.doi.org/10.1107/S1600536812037002 Text en © Franc Perdih 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 Perdih, Franc 4-Carbamoylpyridin-1-ium 2,2,2-trichloroacetate–isonicotinamide (1/1) |
title | 4-Carbamoylpyridin-1-ium 2,2,2-trichloroacetate–isonicotinamide (1/1) |
title_full | 4-Carbamoylpyridin-1-ium 2,2,2-trichloroacetate–isonicotinamide (1/1) |
title_fullStr | 4-Carbamoylpyridin-1-ium 2,2,2-trichloroacetate–isonicotinamide (1/1) |
title_full_unstemmed | 4-Carbamoylpyridin-1-ium 2,2,2-trichloroacetate–isonicotinamide (1/1) |
title_short | 4-Carbamoylpyridin-1-ium 2,2,2-trichloroacetate–isonicotinamide (1/1) |
title_sort | 4-carbamoylpyridin-1-ium 2,2,2-trichloroacetate–isonicotinamide (1/1) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435842/ https://www.ncbi.nlm.nih.gov/pubmed/22969688 http://dx.doi.org/10.1107/S1600536812037002 |
work_keys_str_mv | AT perdihfranc 4carbamoylpyridin1ium222trichloroacetateisonicotinamide11 |