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Crystal structure of 1-butyl-3-{2-[(indan-5-yl)amino]-2-oxoethyl}-1H-imidazol-3-ium chloride
In the cation of the title molecular salt, C(18)H(24)N(3)O(+)·Cl(−), an intramolecular C—H⋯O hydrogen bond stabilizes the almost coplanar orientation of the aromatic ring of the indane unit and the amide plane. In the crystal, the packing is dominated by intermolecular C—H⋯Cl hydrogen-bonding int...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6218894/ https://www.ncbi.nlm.nih.gov/pubmed/30443402 http://dx.doi.org/10.1107/S2056989018014792 |
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author | Zende, Vidya Girase, Tejpalsingh Ramsingh Chrysochos, Nicolas Kapdi, Anant Ramakant Schulzke, Carola |
author_facet | Zende, Vidya Girase, Tejpalsingh Ramsingh Chrysochos, Nicolas Kapdi, Anant Ramakant Schulzke, Carola |
author_sort | Zende, Vidya |
collection | PubMed |
description | In the cation of the title molecular salt, C(18)H(24)N(3)O(+)·Cl(−), an intramolecular C—H⋯O hydrogen bond stabilizes the almost coplanar orientation of the aromatic ring of the indane unit and the amide plane. In the crystal, the packing is dominated by intermolecular C—H⋯Cl hydrogen-bonding interactions that result in the formation of slab-like structures propagating along [010]. The slabs are linked by weak C—H⋯O interactions, forming layers lying parallel to (100). The methylene carbon atom of the indanyl substituent is disordered over two positions with a refined occupancy ratio of 0.84 (2):0.16 (2). The crystal studied was refined as a twin with matrix [1 0 0.9, 0 [Image: see text] 0, 0 0 [Image: see text]]; the resulting BASF value is 0.30. |
format | Online Article Text |
id | pubmed-6218894 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-62188942018-11-15 Crystal structure of 1-butyl-3-{2-[(indan-5-yl)amino]-2-oxoethyl}-1H-imidazol-3-ium chloride Zende, Vidya Girase, Tejpalsingh Ramsingh Chrysochos, Nicolas Kapdi, Anant Ramakant Schulzke, Carola Acta Crystallogr E Crystallogr Commun Research Communications In the cation of the title molecular salt, C(18)H(24)N(3)O(+)·Cl(−), an intramolecular C—H⋯O hydrogen bond stabilizes the almost coplanar orientation of the aromatic ring of the indane unit and the amide plane. In the crystal, the packing is dominated by intermolecular C—H⋯Cl hydrogen-bonding interactions that result in the formation of slab-like structures propagating along [010]. The slabs are linked by weak C—H⋯O interactions, forming layers lying parallel to (100). The methylene carbon atom of the indanyl substituent is disordered over two positions with a refined occupancy ratio of 0.84 (2):0.16 (2). The crystal studied was refined as a twin with matrix [1 0 0.9, 0 [Image: see text] 0, 0 0 [Image: see text]]; the resulting BASF value is 0.30. International Union of Crystallography 2018-10-26 /pmc/articles/PMC6218894/ /pubmed/30443402 http://dx.doi.org/10.1107/S2056989018014792 Text en © Zende et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ 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.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications Zende, Vidya Girase, Tejpalsingh Ramsingh Chrysochos, Nicolas Kapdi, Anant Ramakant Schulzke, Carola Crystal structure of 1-butyl-3-{2-[(indan-5-yl)amino]-2-oxoethyl}-1H-imidazol-3-ium chloride |
title | Crystal structure of 1-butyl-3-{2-[(indan-5-yl)amino]-2-oxoethyl}-1H-imidazol-3-ium chloride |
title_full | Crystal structure of 1-butyl-3-{2-[(indan-5-yl)amino]-2-oxoethyl}-1H-imidazol-3-ium chloride |
title_fullStr | Crystal structure of 1-butyl-3-{2-[(indan-5-yl)amino]-2-oxoethyl}-1H-imidazol-3-ium chloride |
title_full_unstemmed | Crystal structure of 1-butyl-3-{2-[(indan-5-yl)amino]-2-oxoethyl}-1H-imidazol-3-ium chloride |
title_short | Crystal structure of 1-butyl-3-{2-[(indan-5-yl)amino]-2-oxoethyl}-1H-imidazol-3-ium chloride |
title_sort | crystal structure of 1-butyl-3-{2-[(indan-5-yl)amino]-2-oxoethyl}-1h-imidazol-3-ium chloride |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6218894/ https://www.ncbi.nlm.nih.gov/pubmed/30443402 http://dx.doi.org/10.1107/S2056989018014792 |
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