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4-Acetyl­piperazinium picrate

In the title salt, C(6)H(13)N(2)O(+)·C(6)H(2)N(3)O(7) (−) (systematic name: 4-acetyl­piperazin-1-ium 2,4,6-tri­nitro­phenolate), the piperazin-1-ium ring has a slightly distorted chair conformation. In the picrate anion, the mean planes of the two o-NO(2) and p-NO(2) groups are twisted with respect...

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Autores principales: Kavitha, Channappa N., Kaur, Manpreet, Jasinski, Jerry P., Yathirajan, Hemmige S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4051097/
https://www.ncbi.nlm.nih.gov/pubmed/24940287
http://dx.doi.org/10.1107/S1600536814011726
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author Kavitha, Channappa N.
Kaur, Manpreet
Jasinski, Jerry P.
Yathirajan, Hemmige S.
author_facet Kavitha, Channappa N.
Kaur, Manpreet
Jasinski, Jerry P.
Yathirajan, Hemmige S.
author_sort Kavitha, Channappa N.
collection PubMed
description In the title salt, C(6)H(13)N(2)O(+)·C(6)H(2)N(3)O(7) (−) (systematic name: 4-acetyl­piperazin-1-ium 2,4,6-tri­nitro­phenolate), the piperazin-1-ium ring has a slightly distorted chair conformation. In the picrate anion, the mean planes of the two o-NO(2) and p-NO(2) groups are twisted with respect to the benzene ring by 15.0 (2), 68.9 (4) and 4.4 (3)°, respectively. In the crystal, N—H⋯O hydrogen bonds are observed, linking the ions into an infinite chain along [010]. In addition, weak cation–anion C—H⋯O inter­molecular inter­actions and a weak π–π stacking inter­action between the benzene rings of the anions, with an inter-centroid distance of 3.771 (8) Å, help to stabilize the crystal packing, giving an overall sheet structure lying parallel to (100). Disorder was modelled for one of the O atoms in one of the o-NO(2) groups over two sites with an occupancy ratio of 0.57 (6):0.43 (6).
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spelling pubmed-40510972014-06-17 4-Acetyl­piperazinium picrate Kavitha, Channappa N. Kaur, Manpreet Jasinski, Jerry P. Yathirajan, Hemmige S. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title salt, C(6)H(13)N(2)O(+)·C(6)H(2)N(3)O(7) (−) (systematic name: 4-acetyl­piperazin-1-ium 2,4,6-tri­nitro­phenolate), the piperazin-1-ium ring has a slightly distorted chair conformation. In the picrate anion, the mean planes of the two o-NO(2) and p-NO(2) groups are twisted with respect to the benzene ring by 15.0 (2), 68.9 (4) and 4.4 (3)°, respectively. In the crystal, N—H⋯O hydrogen bonds are observed, linking the ions into an infinite chain along [010]. In addition, weak cation–anion C—H⋯O inter­molecular inter­actions and a weak π–π stacking inter­action between the benzene rings of the anions, with an inter-centroid distance of 3.771 (8) Å, help to stabilize the crystal packing, giving an overall sheet structure lying parallel to (100). Disorder was modelled for one of the O atoms in one of the o-NO(2) groups over two sites with an occupancy ratio of 0.57 (6):0.43 (6). International Union of Crystallography 2014-05-31 /pmc/articles/PMC4051097/ /pubmed/24940287 http://dx.doi.org/10.1107/S1600536814011726 Text en © Kavitha et al. 2014 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
Kavitha, Channappa N.
Kaur, Manpreet
Jasinski, Jerry P.
Yathirajan, Hemmige S.
4-Acetyl­piperazinium picrate
title 4-Acetyl­piperazinium picrate
title_full 4-Acetyl­piperazinium picrate
title_fullStr 4-Acetyl­piperazinium picrate
title_full_unstemmed 4-Acetyl­piperazinium picrate
title_short 4-Acetyl­piperazinium picrate
title_sort 4-acetyl­piperazinium picrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4051097/
https://www.ncbi.nlm.nih.gov/pubmed/24940287
http://dx.doi.org/10.1107/S1600536814011726
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