6H-Dipyrido[1,2-a:2′,1′-d][1,3,5]triazin-5-ium bromide monohydrate
In the cation of the title compound, C11H10N3+·Br−·H2O, the central 1,3,5-triazinium ring has a flattened boat conformation and the outer heterocyclic rings are nearly planar [maximum deviations = 0.010 (4) and 0.009 (4) Å] and twisted with respect to each other with a dihedral angle of 22.87 (19)°....
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2016-02-01
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| Series: | IUCrData |
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| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2414314616001802 |
| _version_ | 1818252329673031680 |
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| author | Xian-Wu Jiang Heng-Qiang Zhang Zhuo-Dong Sun Yong-Kui Shan |
| author_facet | Xian-Wu Jiang Heng-Qiang Zhang Zhuo-Dong Sun Yong-Kui Shan |
| author_sort | Xian-Wu Jiang |
| collection | DOAJ |
| description | In the cation of the title compound, C11H10N3+·Br−·H2O, the central 1,3,5-triazinium ring has a flattened boat conformation and the outer heterocyclic rings are nearly planar [maximum deviations = 0.010 (4) and 0.009 (4) Å] and twisted with respect to each other with a dihedral angle of 22.87 (19)°. In the crystal, classical O—H...Br hydrogen bonds and weak C—H...Br and C—H...O hydrogen bonds link the cations, bromide anions and water molecules of crystallization into a three-dimensional supramolecular network. |
| first_indexed | 2024-12-12T16:22:27Z |
| format | Article |
| id | doaj.art-55353fa0c16d48389e115063d604ec92 |
| institution | Directory Open Access Journal |
| issn | 2414-3146 |
| language | English |
| last_indexed | 2024-12-12T16:22:27Z |
| publishDate | 2016-02-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | IUCrData |
| spelling | doaj.art-55353fa0c16d48389e115063d604ec922022-12-22T00:18:57ZengInternational Union of CrystallographyIUCrData2414-31462016-02-0112x16018010.1107/S2414314616001802xu40016H-Dipyrido[1,2-a:2′,1′-d][1,3,5]triazin-5-ium bromide monohydrateXian-Wu Jiang0Heng-Qiang Zhang1Zhuo-Dong Sun2Yong-Kui Shan3School of Chemistry and Molecular Engineering, East China Normal University, Shanghai 200241, People's Republic of ChinaDepartment of Chemistry, Hebei Normal University for Nationalities, Chengde 067000, People's Republic of ChinaSchool of Chemistry and Molecular Engineering, East China Normal University, Shanghai 200241, People's Republic of ChinaSchool of Chemistry and Molecular Engineering, East China Normal University, Shanghai 200241, People's Republic of ChinaIn the cation of the title compound, C11H10N3+·Br−·H2O, the central 1,3,5-triazinium ring has a flattened boat conformation and the outer heterocyclic rings are nearly planar [maximum deviations = 0.010 (4) and 0.009 (4) Å] and twisted with respect to each other with a dihedral angle of 22.87 (19)°. In the crystal, classical O—H...Br hydrogen bonds and weak C—H...Br and C—H...O hydrogen bonds link the cations, bromide anions and water molecules of crystallization into a three-dimensional supramolecular network.http://scripts.iucr.org/cgi-bin/paper?S2414314616001802crystal structuresaltdipyridotriaziniumbromidehydrogen bonding |
| spellingShingle | Xian-Wu Jiang Heng-Qiang Zhang Zhuo-Dong Sun Yong-Kui Shan 6H-Dipyrido[1,2-a:2′,1′-d][1,3,5]triazin-5-ium bromide monohydrate IUCrData crystal structure salt dipyridotriazinium bromide hydrogen bonding |
| title | 6H-Dipyrido[1,2-a:2′,1′-d][1,3,5]triazin-5-ium bromide monohydrate |
| title_full | 6H-Dipyrido[1,2-a:2′,1′-d][1,3,5]triazin-5-ium bromide monohydrate |
| title_fullStr | 6H-Dipyrido[1,2-a:2′,1′-d][1,3,5]triazin-5-ium bromide monohydrate |
| title_full_unstemmed | 6H-Dipyrido[1,2-a:2′,1′-d][1,3,5]triazin-5-ium bromide monohydrate |
| title_short | 6H-Dipyrido[1,2-a:2′,1′-d][1,3,5]triazin-5-ium bromide monohydrate |
| title_sort | 6h dipyrido 1 2 a 2 1 d 1 3 5 triazin 5 ium bromide monohydrate |
| topic | crystal structure salt dipyridotriazinium bromide hydrogen bonding |
| url | http://scripts.iucr.org/cgi-bin/paper?S2414314616001802 |
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