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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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Detalles Bibliográficos
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
Descripción
Sumario: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].