Crystal structure of (E)-4-{4-[ethyl(2-hydroxyethyl)amino]styryl}-1-methylpyridinium nitrate hemihydrate
The asymmetric unit of the title compound, C18H23N2O+·NO3−·0.5H2O, contains two independent 4-{4-[ethyl(2-hydroxyethyl)amino]styryl}-1-methylpyridin-1-ium cations, two nitrate anions and one lattice water molecule. In the cations, the pyridine ring is twisted with respect by 7.98 (12) and 18.42 (10)...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2015-02-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989015000067 |
| _version_ | 1828438451217760256 |
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| author | Hui Zhang Mu-Hua Peng Xiao-Juan Wang Xiao-Ying Li |
| author_facet | Hui Zhang Mu-Hua Peng Xiao-Juan Wang Xiao-Ying Li |
| author_sort | Hui Zhang |
| collection | DOAJ |
| description | The asymmetric unit of the title compound, C18H23N2O+·NO3−·0.5H2O, contains two independent 4-{4-[ethyl(2-hydroxyethyl)amino]styryl}-1-methylpyridin-1-ium cations, two nitrate anions and one lattice water molecule. In the cations, the pyridine ring is twisted with respect by 7.98 (12) and 18.42 (10)° to the benzene ring. In the crystal, the cations, the anions and the lattice water molecules are linked by O—H...O hydrogen bonds and weak C—H...O hydrogen bonds, forming a three-dimensional supramolecular architecture. π–π stacking occurs between pyridine and benzene rings of adjacent cations, the centroid–centroid distances being 3.8169 (15) and 3.8663 (14) Å. In the crystal, one of the independent cations is disordered, the central vinyl unit and the terminal hydroxylethyl group being disordered over two sets of sites with site occupancy factors of 0.600 (6) and 0.400 (6). |
| first_indexed | 2024-12-10T20:03:45Z |
| format | Article |
| id | doaj.art-b31f6807124b4a3fadb4aab202cc16db |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-12-10T20:03:45Z |
| publishDate | 2015-02-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-b31f6807124b4a3fadb4aab202cc16db2022-12-22T01:35:26ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902015-02-01712o111o11210.1107/S2056989015000067xu5834Crystal structure of (E)-4-{4-[ethyl(2-hydroxyethyl)amino]styryl}-1-methylpyridinium nitrate hemihydrateHui Zhang0Mu-Hua Peng1Xiao-Juan Wang2Xiao-Ying Li3Department of Chemistry, Anhui University, Hefei 230039, People's Republic of ChinaDepartment of Biology, Anhui University, Hefei 230039, People's Republic of ChinaDepartment of Chemistry, Anhui University, Hefei 230039, People's Republic of ChinaDepartment of Chemistry, Anhui University, Hefei 230039, People's Republic of ChinaThe asymmetric unit of the title compound, C18H23N2O+·NO3−·0.5H2O, contains two independent 4-{4-[ethyl(2-hydroxyethyl)amino]styryl}-1-methylpyridin-1-ium cations, two nitrate anions and one lattice water molecule. In the cations, the pyridine ring is twisted with respect by 7.98 (12) and 18.42 (10)° to the benzene ring. In the crystal, the cations, the anions and the lattice water molecules are linked by O—H...O hydrogen bonds and weak C—H...O hydrogen bonds, forming a three-dimensional supramolecular architecture. π–π stacking occurs between pyridine and benzene rings of adjacent cations, the centroid–centroid distances being 3.8169 (15) and 3.8663 (14) Å. In the crystal, one of the independent cations is disordered, the central vinyl unit and the terminal hydroxylethyl group being disordered over two sets of sites with site occupancy factors of 0.600 (6) and 0.400 (6).http://scripts.iucr.org/cgi-bin/paper?S2056989015000067crystal structurepyridinium derivativehydrogen bondingπ–π stacking |
| spellingShingle | Hui Zhang Mu-Hua Peng Xiao-Juan Wang Xiao-Ying Li Crystal structure of (E)-4-{4-[ethyl(2-hydroxyethyl)amino]styryl}-1-methylpyridinium nitrate hemihydrate Acta Crystallographica Section E: Crystallographic Communications crystal structure pyridinium derivative hydrogen bonding π–π stacking |
| title | Crystal structure of (E)-4-{4-[ethyl(2-hydroxyethyl)amino]styryl}-1-methylpyridinium nitrate hemihydrate |
| title_full | Crystal structure of (E)-4-{4-[ethyl(2-hydroxyethyl)amino]styryl}-1-methylpyridinium nitrate hemihydrate |
| title_fullStr | Crystal structure of (E)-4-{4-[ethyl(2-hydroxyethyl)amino]styryl}-1-methylpyridinium nitrate hemihydrate |
| title_full_unstemmed | Crystal structure of (E)-4-{4-[ethyl(2-hydroxyethyl)amino]styryl}-1-methylpyridinium nitrate hemihydrate |
| title_short | Crystal structure of (E)-4-{4-[ethyl(2-hydroxyethyl)amino]styryl}-1-methylpyridinium nitrate hemihydrate |
| title_sort | crystal structure of e 4 4 ethyl 2 hydroxyethyl amino styryl 1 methylpyridinium nitrate hemihydrate |
| topic | crystal structure pyridinium derivative hydrogen bonding π–π stacking |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989015000067 |
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