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1-[(4-Chlorophenyl)(phenyl)methyl]piperazine-1,4-diium bis(trichloroacetate)–trichloroacetic acid (1/1)
In the title salt adduct, C(17)H(21)ClN(2) (2+)·2C(2)Cl(3)O(2) (−)·C(2)HCl(3)O(2), the Cl atom of the dication is disordered over two positions in a 0.915 (3):0.085 (3) ratio. The Cl atoms in the trichloroacetate anions and trichloroacetic acid molecule are also disordered, with refined site-occupat...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435716/ https://www.ncbi.nlm.nih.gov/pubmed/22969587 http://dx.doi.org/10.1107/S1600536812034794 |
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author | Song, Yanxi Chidan Kumar, C. S. Akkurt, Mehmet Chandraju, S. Li, Hongqi |
author_facet | Song, Yanxi Chidan Kumar, C. S. Akkurt, Mehmet Chandraju, S. Li, Hongqi |
author_sort | Song, Yanxi |
collection | PubMed |
description | In the title salt adduct, C(17)H(21)ClN(2) (2+)·2C(2)Cl(3)O(2) (−)·C(2)HCl(3)O(2), the Cl atom of the dication is disordered over two positions in a 0.915 (3):0.085 (3) ratio. The Cl atoms in the trichloroacetate anions and trichloroacetic acid molecule are also disordered, with refined site-occupation factors of 0.59 (3):0.41 (3), 0.503 (12):0.417 (12) and 0.653 (12):0.347 (12). The piperazine ring adopts a chair conformation, with puckering parameters Q (T) = 0.587 (3) Å, θ = 2.6 (2) and Φ 334 (6)°. In the crystal, neighbouring molecules are linked by N—H⋯O, O—H⋯O, N—H⋯Cl, C—H⋯O and C—H⋯Cl hydrogen bonds, forming a three-dimensional network. |
format | Online Article Text |
id | pubmed-3435716 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-34357162012-09-11 1-[(4-Chlorophenyl)(phenyl)methyl]piperazine-1,4-diium bis(trichloroacetate)–trichloroacetic acid (1/1) Song, Yanxi Chidan Kumar, C. S. Akkurt, Mehmet Chandraju, S. Li, Hongqi Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title salt adduct, C(17)H(21)ClN(2) (2+)·2C(2)Cl(3)O(2) (−)·C(2)HCl(3)O(2), the Cl atom of the dication is disordered over two positions in a 0.915 (3):0.085 (3) ratio. The Cl atoms in the trichloroacetate anions and trichloroacetic acid molecule are also disordered, with refined site-occupation factors of 0.59 (3):0.41 (3), 0.503 (12):0.417 (12) and 0.653 (12):0.347 (12). The piperazine ring adopts a chair conformation, with puckering parameters Q (T) = 0.587 (3) Å, θ = 2.6 (2) and Φ 334 (6)°. In the crystal, neighbouring molecules are linked by N—H⋯O, O—H⋯O, N—H⋯Cl, C—H⋯O and C—H⋯Cl hydrogen bonds, forming a three-dimensional network. International Union of Crystallography 2012-08-11 /pmc/articles/PMC3435716/ /pubmed/22969587 http://dx.doi.org/10.1107/S1600536812034794 Text en © Song et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Organic Papers Song, Yanxi Chidan Kumar, C. S. Akkurt, Mehmet Chandraju, S. Li, Hongqi 1-[(4-Chlorophenyl)(phenyl)methyl]piperazine-1,4-diium bis(trichloroacetate)–trichloroacetic acid (1/1) |
title | 1-[(4-Chlorophenyl)(phenyl)methyl]piperazine-1,4-diium bis(trichloroacetate)–trichloroacetic acid (1/1) |
title_full | 1-[(4-Chlorophenyl)(phenyl)methyl]piperazine-1,4-diium bis(trichloroacetate)–trichloroacetic acid (1/1) |
title_fullStr | 1-[(4-Chlorophenyl)(phenyl)methyl]piperazine-1,4-diium bis(trichloroacetate)–trichloroacetic acid (1/1) |
title_full_unstemmed | 1-[(4-Chlorophenyl)(phenyl)methyl]piperazine-1,4-diium bis(trichloroacetate)–trichloroacetic acid (1/1) |
title_short | 1-[(4-Chlorophenyl)(phenyl)methyl]piperazine-1,4-diium bis(trichloroacetate)–trichloroacetic acid (1/1) |
title_sort | 1-[(4-chlorophenyl)(phenyl)methyl]piperazine-1,4-diium bis(trichloroacetate)–trichloroacetic acid (1/1) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435716/ https://www.ncbi.nlm.nih.gov/pubmed/22969587 http://dx.doi.org/10.1107/S1600536812034794 |
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