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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...

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Autores principales: Kavitha, Channappa N., Kaur, Manpreet, Anderson, Brian J., Jasinski, Jerry P., Yathirajan, H. 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/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].
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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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