4-Acetylpiperazinium picrate
In the title salt, C6H13N2O+·C6H2N3O7 − (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-NO2 and p-NO2 groups are twisted with respect to the benzene ring by...
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| Format: | Online |
| Language: | English |
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International Union of Crystallography
2014
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4051097/ |
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pubmed-4051097 |
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pubmed-40510972014-06-17 4-Acetylpiperazinium picrate Kavitha, Channappa N. Kaur, Manpreet Jasinski, Jerry P. Yathirajan, Hemmige S. Organic Papers In the title salt, C6H13N2O+·C6H2N3O7 − (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-NO2 and p-NO2 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-NO2 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. |
| repository_type |
Open Access Journal |
| institution_category |
Foreign Institution |
| institution |
US National Center for Biotechnology Information |
| building |
NCBI PubMed |
| collection |
Online Access |
| language |
English |
| format |
Online |
| author |
Kavitha, Channappa N. Kaur, Manpreet Jasinski, Jerry P. Yathirajan, Hemmige S. |
| spellingShingle |
Kavitha, Channappa N. Kaur, Manpreet Jasinski, Jerry P. Yathirajan, Hemmige S. 4-Acetylpiperazinium picrate |
| author_facet |
Kavitha, Channappa N. Kaur, Manpreet Jasinski, Jerry P. Yathirajan, Hemmige S. |
| author_sort |
Kavitha, Channappa N. |
| title |
4-Acetylpiperazinium picrate |
| title_short |
4-Acetylpiperazinium picrate |
| title_full |
4-Acetylpiperazinium picrate |
| title_fullStr |
4-Acetylpiperazinium picrate |
| title_full_unstemmed |
4-Acetylpiperazinium picrate |
| title_sort |
4-acetylpiperazinium picrate |
| description |
In the title salt, C6H13N2O+·C6H2N3O7
− (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-NO2 and p-NO2 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-NO2 groups over two sites with an occupancy ratio of 0.57 (6):0.43 (6). |
| publisher |
International Union of Crystallography |
| publishDate |
2014 |
| url |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4051097/ |
| _version_ |
1612098856289304576 |