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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...

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Autores principales: Song, Yanxi, Chidan Kumar, C. S., Akkurt, Mehmet, Chandraju, S., Li, Hongqi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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.
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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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