Bis[2-(2,4-dinitrobenzyl)pyridinium] biphenyl-4,4′-disulfonate trihydrate
In the structure of the title salt, 2C12H10N3O4+·C12H8O6S22−·3H2O, determined at 173 K, the biphenyl-4,4′-disulfonate dianions lie across crystallographic inversion centres with the sulfonate groups interacting head-to-head through...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2010-05-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536810014819 |
| _version_ | 1818886976455049216 |
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| author | Graham Smith Urs D. Wermuth David J. Young |
| author_facet | Graham Smith Urs D. Wermuth David J. Young |
| author_sort | Graham Smith |
| collection | DOAJ |
| description | In the structure of the title salt, 2C12H10N3O4+·C12H8O6S22−·3H2O, determined at 173 K, the biphenyl-4,4′-disulfonate dianions lie across crystallographic inversion centres with the sulfonate groups interacting head-to-head through centrosymmetric cyclic bis(water)-bridged hydrogen-bonding associations [graph set R44(11)], forming chains. The 2-(2,4-dinitrobenzyl)pyridinium cations are linked to these chains through pyridinium–water N—H...O hydrogen bonds and a two-dimensional network is formed through water bridges between sulfonate and 2-nitro O atoms, while the structure also has weak cation–anion π–π aromatic ring interactions [minimum ring centroid separation = 3.8441 (13) Å]. |
| first_indexed | 2024-12-19T16:29:53Z |
| format | Article |
| id | doaj.art-35a3f4705b4d46d68e985859ad44f2c0 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-19T16:29:53Z |
| publishDate | 2010-05-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-35a3f4705b4d46d68e985859ad44f2c02022-12-21T20:14:14ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682010-05-01665o1184o118510.1107/S1600536810014819Bis[2-(2,4-dinitrobenzyl)pyridinium] biphenyl-4,4′-disulfonate trihydrateGraham SmithUrs D. WermuthDavid J. YoungIn the structure of the title salt, 2C12H10N3O4+·C12H8O6S22−·3H2O, determined at 173 K, the biphenyl-4,4′-disulfonate dianions lie across crystallographic inversion centres with the sulfonate groups interacting head-to-head through centrosymmetric cyclic bis(water)-bridged hydrogen-bonding associations [graph set R44(11)], forming chains. The 2-(2,4-dinitrobenzyl)pyridinium cations are linked to these chains through pyridinium–water N—H...O hydrogen bonds and a two-dimensional network is formed through water bridges between sulfonate and 2-nitro O atoms, while the structure also has weak cation–anion π–π aromatic ring interactions [minimum ring centroid separation = 3.8441 (13) Å].http://scripts.iucr.org/cgi-bin/paper?S1600536810014819 |
| spellingShingle | Graham Smith Urs D. Wermuth David J. Young Bis[2-(2,4-dinitrobenzyl)pyridinium] biphenyl-4,4′-disulfonate trihydrate Acta Crystallographica Section E |
| title | Bis[2-(2,4-dinitrobenzyl)pyridinium] biphenyl-4,4′-disulfonate trihydrate |
| title_full | Bis[2-(2,4-dinitrobenzyl)pyridinium] biphenyl-4,4′-disulfonate trihydrate |
| title_fullStr | Bis[2-(2,4-dinitrobenzyl)pyridinium] biphenyl-4,4′-disulfonate trihydrate |
| title_full_unstemmed | Bis[2-(2,4-dinitrobenzyl)pyridinium] biphenyl-4,4′-disulfonate trihydrate |
| title_short | Bis[2-(2,4-dinitrobenzyl)pyridinium] biphenyl-4,4′-disulfonate trihydrate |
| title_sort | bis 2 2 4 dinitrobenzyl pyridinium biphenyl 4 4 amp 8242 disulfonate trihydrate |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536810014819 |
| work_keys_str_mv | AT grahamsmith bis224dinitrobenzylpyridiniumbiphenyl44amp8242disulfonatetrihydrate AT ursdwermuth bis224dinitrobenzylpyridiniumbiphenyl44amp8242disulfonatetrihydrate AT davidjyoung bis224dinitrobenzylpyridiniumbiphenyl44amp8242disulfonatetrihydrate |