Butane-1,4-diammonium bis(pyridine-2-carboxylate) monohydrate
The asymmetric unit of the title compound, C4H14N22+·2C6H4NO2−·H2O, consists of half of a doubly protonated tetramethylenediammonium dication, a pyridine-2-carboxylate anion and half of a solvent water molecule; the dication is located on a centre of inversion...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2009-09-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536809031493 |
| _version_ | 1818886956570902528 |
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| author | Nam-Ho Kim Kwang Ha |
| author_facet | Nam-Ho Kim Kwang Ha |
| author_sort | Nam-Ho Kim |
| collection | DOAJ |
| description | The asymmetric unit of the title compound, C4H14N22+·2C6H4NO2−·H2O, consists of half of a doubly protonated tetramethylenediammonium dication, a pyridine-2-carboxylate anion and half of a solvent water molecule; the dication is located on a centre of inversion and a twofold rotation axis passes through the O atom of the water molecule. The carboxylate group of the anion appears to be delocalized on the basis of the C—O bond lengths. In the crystal structure, the components are linked by intermolecular N—H...O, N—H...N and O—H...O hydrogen bonds. |
| first_indexed | 2024-12-19T16:29:34Z |
| format | Article |
| id | doaj.art-edad353c9c7a4b769a787aa8250e23f5 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-19T16:29:34Z |
| publishDate | 2009-09-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-edad353c9c7a4b769a787aa8250e23f52022-12-21T20:14:15ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682009-09-01659o2151o215110.1107/S1600536809031493Butane-1,4-diammonium bis(pyridine-2-carboxylate) monohydrateNam-Ho KimKwang HaThe asymmetric unit of the title compound, C4H14N22+·2C6H4NO2−·H2O, consists of half of a doubly protonated tetramethylenediammonium dication, a pyridine-2-carboxylate anion and half of a solvent water molecule; the dication is located on a centre of inversion and a twofold rotation axis passes through the O atom of the water molecule. The carboxylate group of the anion appears to be delocalized on the basis of the C—O bond lengths. In the crystal structure, the components are linked by intermolecular N—H...O, N—H...N and O—H...O hydrogen bonds.http://scripts.iucr.org/cgi-bin/paper?S1600536809031493 |
| spellingShingle | Nam-Ho Kim Kwang Ha Butane-1,4-diammonium bis(pyridine-2-carboxylate) monohydrate Acta Crystallographica Section E |
| title | Butane-1,4-diammonium bis(pyridine-2-carboxylate) monohydrate |
| title_full | Butane-1,4-diammonium bis(pyridine-2-carboxylate) monohydrate |
| title_fullStr | Butane-1,4-diammonium bis(pyridine-2-carboxylate) monohydrate |
| title_full_unstemmed | Butane-1,4-diammonium bis(pyridine-2-carboxylate) monohydrate |
| title_short | Butane-1,4-diammonium bis(pyridine-2-carboxylate) monohydrate |
| title_sort | butane 1 4 diammonium bis pyridine 2 carboxylate monohydrate |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536809031493 |
| work_keys_str_mv | AT namhokim butane14diammoniumbispyridine2carboxylatemonohydrate AT kwangha butane14diammoniumbispyridine2carboxylatemonohydrate |