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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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Autor principal: Perdih, Franc
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
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.
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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