4-Carbamoylpyridin-1-ium 2,2,2-trichloroacetate–isonicotinamide (1/1)
In the crystal structure of the title 1:1 co-crystal, C6H7N2O+·C2Cl3O2−·C6H6N2O, 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&...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2012-09-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536812037002 |
| _version_ | 1818914482587435008 |
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| author | Franc Perdih |
| author_facet | Franc Perdih |
| author_sort | Franc Perdih |
| collection | DOAJ |
| description | In the crystal structure of the title 1:1 co-crystal, C6H7N2O+·C2Cl3O2−·C6H6N2O, 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 R22(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. |
| first_indexed | 2024-12-19T23:47:05Z |
| format | Article |
| id | doaj.art-f022c125d71e4944a44d2bc4d9aed31e |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-19T23:47:05Z |
| publishDate | 2012-09-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-f022c125d71e4944a44d2bc4d9aed31e2022-12-21T20:01:17ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682012-09-01689o2818o281810.1107/S16005368120370024-Carbamoylpyridin-1-ium 2,2,2-trichloroacetate–isonicotinamide (1/1)Franc PerdihIn the crystal structure of the title 1:1 co-crystal, C6H7N2O+·C2Cl3O2−·C6H6N2O, 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 R22(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.http://scripts.iucr.org/cgi-bin/paper?S1600536812037002 |
| spellingShingle | Franc Perdih 4-Carbamoylpyridin-1-ium 2,2,2-trichloroacetate–isonicotinamide (1/1) Acta Crystallographica Section E |
| 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 amp 8211 isonicotinamide 1 1 |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536812037002 |
| work_keys_str_mv | AT francperdih 4carbamoylpyridin1ium222trichloroacetateamp8211isonicotinamide11 |