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1-Piperonylpiperazinium 4-chlorobenzoate
In the title salt {systematic name: 1-[(1,3-benzodioxol-5-yl)methyl]piperazin-1-ium 4-chlorobenzoate}, C(12)H(17)N(2)O(2) (+)·C(7)H(4)ClO(2) (−), the piperazine ring adopts a slightly disordered chair conformation. The dioxole ring is in a flattened envelope conformation with the methylene C atom...
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/PMC3998456/ https://www.ncbi.nlm.nih.gov/pubmed/24764993 http://dx.doi.org/10.1107/S1600536814002037 |
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author | Kavitha, Channappa N. Kaur, Manpreet Anderson, Brian J. Jasinski, Jerry P. Yathirajan, H. S. |
author_facet | Kavitha, Channappa N. Kaur, Manpreet Anderson, Brian J. Jasinski, Jerry P. Yathirajan, H. S. |
author_sort | Kavitha, Channappa N. |
collection | PubMed |
description | In the title salt {systematic name: 1-[(1,3-benzodioxol-5-yl)methyl]piperazin-1-ium 4-chlorobenzoate}, C(12)H(17)N(2)O(2) (+)·C(7)H(4)ClO(2) (−), the piperazine ring adopts a slightly disordered chair conformation. The dioxole ring is in a flattened envelope conformation with the methylene C atom forming the flap. The relative orientation of the piperonyl ring system and the piperazine rings is reflected in the N—C—C C torsion angle of 132.3 (1)°. In the anion, the mean plane of the carboxylate group is twisted from that of the benzene ring by 14.8 (9)°. In the crystal, the components are linked by N—H⋯O and weak C—H⋯O hydrogen bonds, forming chains along [010]. |
format | Online Article Text |
id | pubmed-3998456 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-39984562014-04-24 1-Piperonylpiperazinium 4-chlorobenzoate Kavitha, Channappa N. Kaur, Manpreet Anderson, Brian J. Jasinski, Jerry P. Yathirajan, H. S. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title salt {systematic name: 1-[(1,3-benzodioxol-5-yl)methyl]piperazin-1-ium 4-chlorobenzoate}, C(12)H(17)N(2)O(2) (+)·C(7)H(4)ClO(2) (−), the piperazine ring adopts a slightly disordered chair conformation. The dioxole ring is in a flattened envelope conformation with the methylene C atom forming the flap. The relative orientation of the piperonyl ring system and the piperazine rings is reflected in the N—C—C C torsion angle of 132.3 (1)°. In the anion, the mean plane of the carboxylate group is twisted from that of the benzene ring by 14.8 (9)°. In the crystal, the components are linked by N—H⋯O and weak C—H⋯O hydrogen bonds, forming chains along [010]. International Union of Crystallography 2014-02-12 /pmc/articles/PMC3998456/ /pubmed/24764993 http://dx.doi.org/10.1107/S1600536814002037 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 Anderson, Brian J. Jasinski, Jerry P. Yathirajan, H. S. 1-Piperonylpiperazinium 4-chlorobenzoate |
title | 1-Piperonylpiperazinium 4-chlorobenzoate |
title_full | 1-Piperonylpiperazinium 4-chlorobenzoate |
title_fullStr | 1-Piperonylpiperazinium 4-chlorobenzoate |
title_full_unstemmed | 1-Piperonylpiperazinium 4-chlorobenzoate |
title_short | 1-Piperonylpiperazinium 4-chlorobenzoate |
title_sort | 1-piperonylpiperazinium 4-chlorobenzoate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998456/ https://www.ncbi.nlm.nih.gov/pubmed/24764993 http://dx.doi.org/10.1107/S1600536814002037 |
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