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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...

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Autores principales: Zende, Vidya, Girase, Tejpalsingh Ramsingh, Chrysochos, Nicolas, Kapdi, Anant Ramakant, Schulzke, Carola
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
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.
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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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