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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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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). |
format | Online Article Text |
id | pubmed-4051097 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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