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4-[(Benzylamino)carbonyl]-1-methylpyridinium halogenide salts: X-ray diffraction study and Hirshfeld surface analysis
Two salts of 4-[(benzylamino)carbonyl]-1-methylpyridinium (Am) with chloride (C(14)H(15)N(2)O(+)·Cl(−)) and bromide (C(14)H(15)N(2)O(+)·Br(−)) anions were studied and compared with the iodide salt. AmCl crystallizes in the centrosymmetric space group P2(1)/n while AmBr and AmI form crystals in t...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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International Union of Crystallography
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8819432/ https://www.ncbi.nlm.nih.gov/pubmed/35145735 http://dx.doi.org/10.1107/S2056989021013505 |
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| author | Shishkina, Svitlana V. Shaposhnik, Anna M. Baumer, Vyacheslav M. Rudiuk, Vitalii V. Levandovskiy, Igor A. |
| author_facet | Shishkina, Svitlana V. Shaposhnik, Anna M. Baumer, Vyacheslav M. Rudiuk, Vitalii V. Levandovskiy, Igor A. |
| author_sort | Shishkina, Svitlana V. |
| collection | PubMed |
| description | Two salts of 4-[(benzylamino)carbonyl]-1-methylpyridinium (Am) with chloride (C(14)H(15)N(2)O(+)·Cl(−)) and bromide (C(14)H(15)N(2)O(+)·Br(−)) anions were studied and compared with the iodide salt. AmCl crystallizes in the centrosymmetric space group P2(1)/n while AmBr and AmI form crystals in the Sohncke space group P2(1)2(1)2(1). Crystals of AmBr are isostructural to those of AmI. The cation and anion are bound by an N–H⋯Hal hydrogen bond. Hirshfeld surface analysis was used to compare different types of intermolecular interactions in the three structures under study. |
| format | Online Article Text |
| id | pubmed-8819432 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2022 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-88194322022-02-09 4-[(Benzylamino)carbonyl]-1-methylpyridinium halogenide salts: X-ray diffraction study and Hirshfeld surface analysis Shishkina, Svitlana V. Shaposhnik, Anna M. Baumer, Vyacheslav M. Rudiuk, Vitalii V. Levandovskiy, Igor A. Acta Crystallogr E Crystallogr Commun Research Communications Two salts of 4-[(benzylamino)carbonyl]-1-methylpyridinium (Am) with chloride (C(14)H(15)N(2)O(+)·Cl(−)) and bromide (C(14)H(15)N(2)O(+)·Br(−)) anions were studied and compared with the iodide salt. AmCl crystallizes in the centrosymmetric space group P2(1)/n while AmBr and AmI form crystals in the Sohncke space group P2(1)2(1)2(1). Crystals of AmBr are isostructural to those of AmI. The cation and anion are bound by an N–H⋯Hal hydrogen bond. Hirshfeld surface analysis was used to compare different types of intermolecular interactions in the three structures under study. International Union of Crystallography 2022-01-07 /pmc/articles/PMC8819432/ /pubmed/35145735 http://dx.doi.org/10.1107/S2056989021013505 Text en © Shishkina et al. 2022 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
| spellingShingle | Research Communications Shishkina, Svitlana V. Shaposhnik, Anna M. Baumer, Vyacheslav M. Rudiuk, Vitalii V. Levandovskiy, Igor A. 4-[(Benzylamino)carbonyl]-1-methylpyridinium halogenide salts: X-ray diffraction study and Hirshfeld surface analysis |
| title | 4-[(Benzylamino)carbonyl]-1-methylpyridinium halogenide salts: X-ray diffraction study and Hirshfeld surface analysis |
| title_full | 4-[(Benzylamino)carbonyl]-1-methylpyridinium halogenide salts: X-ray diffraction study and Hirshfeld surface analysis |
| title_fullStr | 4-[(Benzylamino)carbonyl]-1-methylpyridinium halogenide salts: X-ray diffraction study and Hirshfeld surface analysis |
| title_full_unstemmed | 4-[(Benzylamino)carbonyl]-1-methylpyridinium halogenide salts: X-ray diffraction study and Hirshfeld surface analysis |
| title_short | 4-[(Benzylamino)carbonyl]-1-methylpyridinium halogenide salts: X-ray diffraction study and Hirshfeld surface analysis |
| title_sort | 4-[(benzylamino)carbonyl]-1-methylpyridinium halogenide salts: x-ray diffraction study and hirshfeld surface analysis |
| topic | Research Communications |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8819432/ https://www.ncbi.nlm.nih.gov/pubmed/35145735 http://dx.doi.org/10.1107/S2056989021013505 |
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