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Crystal structures of six 4-(4-nitro­phenyl)­piperazin-1-ium salts

Six piperazinium salts, namely 4-(4-nitro­phenyl)­piperazin-1-ium 4-bromo­ben­zo­ate dihydrate, C(10)H(14)N(3)O(2) (+)·C(7)H(4)BrO(2) (−)·2H(2)O, (I), 4-(4-nitro­phenyl)­pi­per­a­zin-1-ium 4-iodo­benzoate dihydrate, C(10)H(14)N(3)O(2) (+)·C(7)H(4)IO(2) (−)·2H(2)O, (II), 4-(4-nitro­phenyl)­piperazin-...

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Autores principales: Mahesha, Ninganayaka, Kiran Kumar, Haruvegowda, Yathirajan, Hemmige S., Foro, Sabine, Abdelbaky, Mohammed S. M., Garcia-Granda, Santiago
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9069513/
https://www.ncbi.nlm.nih.gov/pubmed/35547797
http://dx.doi.org/10.1107/S2056989022004157
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author Mahesha, Ninganayaka
Kiran Kumar, Haruvegowda
Yathirajan, Hemmige S.
Foro, Sabine
Abdelbaky, Mohammed S. M.
Garcia-Granda, Santiago
author_facet Mahesha, Ninganayaka
Kiran Kumar, Haruvegowda
Yathirajan, Hemmige S.
Foro, Sabine
Abdelbaky, Mohammed S. M.
Garcia-Granda, Santiago
author_sort Mahesha, Ninganayaka
collection PubMed
description Six piperazinium salts, namely 4-(4-nitro­phenyl)­piperazin-1-ium 4-bromo­ben­zo­ate dihydrate, C(10)H(14)N(3)O(2) (+)·C(7)H(4)BrO(2) (−)·2H(2)O, (I), 4-(4-nitro­phenyl)­pi­per­a­zin-1-ium 4-iodo­benzoate dihydrate, C(10)H(14)N(3)O(2) (+)·C(7)H(4)IO(2) (−)·2H(2)O, (II), 4-(4-nitro­phenyl)­piperazin-1-ium 4-hy­droxy­benzoate monohydrate, C(10)H(14)N(3)O(2) (+)·C(7)H(5)O(3) (−)·H(2)O, (III), 4-(4-nitro­phenyl)­piperazin-1-ium 4-methyl­benzoate monohydrate, C(10)H(14)N(3)O(2) (+)·C(8)H(7)O(2) (−)·H(2)O, (IV), 4-(4-nitro­phenyl)­piperazin-1-ium 4-meth­oxy­benzoate hemihydrate, 2C(10)H(14)N(3)O(2) (+)·2C(8)H(7)O(3) (−)·H(2)O, (V), and 4-(4-nitro­phenyl)­piperazin-1-ium 4-eth­oxy­benzoate, 2C(10)H(14)N(3)O(2) (+)·2C(9)H(9)O(3) (−), (VI), have been synthesized and their crystal structures solved by single-crystal X-ray diffraction, revealing that all of them crystallize in the triclinic space group P [Image: see text] except for (V), which crystallizes in the monoclinic space group P2(1)/c and has a disordered nitro group. Compounds (I) and (II) are isostructural. The crystal packing of (I)–(V) is constructed from organic chains formed by a combination of hydrogen bonds of type N—H⋯O and/or O—H⋯O and other weak inter­actions of type C—H⋯O and/or C—H⋯π, forming sheets, whereas (VI) shows a cationic and anionic-based layer structure.
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spelling pubmed-90695132022-05-10 Crystal structures of six 4-(4-nitro­phenyl)­piperazin-1-ium salts Mahesha, Ninganayaka Kiran Kumar, Haruvegowda Yathirajan, Hemmige S. Foro, Sabine Abdelbaky, Mohammed S. M. Garcia-Granda, Santiago Acta Crystallogr E Crystallogr Commun Research Communications Six piperazinium salts, namely 4-(4-nitro­phenyl)­piperazin-1-ium 4-bromo­ben­zo­ate dihydrate, C(10)H(14)N(3)O(2) (+)·C(7)H(4)BrO(2) (−)·2H(2)O, (I), 4-(4-nitro­phenyl)­pi­per­a­zin-1-ium 4-iodo­benzoate dihydrate, C(10)H(14)N(3)O(2) (+)·C(7)H(4)IO(2) (−)·2H(2)O, (II), 4-(4-nitro­phenyl)­piperazin-1-ium 4-hy­droxy­benzoate monohydrate, C(10)H(14)N(3)O(2) (+)·C(7)H(5)O(3) (−)·H(2)O, (III), 4-(4-nitro­phenyl)­piperazin-1-ium 4-methyl­benzoate monohydrate, C(10)H(14)N(3)O(2) (+)·C(8)H(7)O(2) (−)·H(2)O, (IV), 4-(4-nitro­phenyl)­piperazin-1-ium 4-meth­oxy­benzoate hemihydrate, 2C(10)H(14)N(3)O(2) (+)·2C(8)H(7)O(3) (−)·H(2)O, (V), and 4-(4-nitro­phenyl)­piperazin-1-ium 4-eth­oxy­benzoate, 2C(10)H(14)N(3)O(2) (+)·2C(9)H(9)O(3) (−), (VI), have been synthesized and their crystal structures solved by single-crystal X-ray diffraction, revealing that all of them crystallize in the triclinic space group P [Image: see text] except for (V), which crystallizes in the monoclinic space group P2(1)/c and has a disordered nitro group. Compounds (I) and (II) are isostructural. The crystal packing of (I)–(V) is constructed from organic chains formed by a combination of hydrogen bonds of type N—H⋯O and/or O—H⋯O and other weak inter­actions of type C—H⋯O and/or C—H⋯π, forming sheets, whereas (VI) shows a cationic and anionic-based layer structure. International Union of Crystallography 2022-04-26 /pmc/articles/PMC9069513/ /pubmed/35547797 http://dx.doi.org/10.1107/S2056989022004157 Text en © Mahesha et al. 2022 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Mahesha, Ninganayaka
Kiran Kumar, Haruvegowda
Yathirajan, Hemmige S.
Foro, Sabine
Abdelbaky, Mohammed S. M.
Garcia-Granda, Santiago
Crystal structures of six 4-(4-nitro­phenyl)­piperazin-1-ium salts
title Crystal structures of six 4-(4-nitro­phenyl)­piperazin-1-ium salts
title_full Crystal structures of six 4-(4-nitro­phenyl)­piperazin-1-ium salts
title_fullStr Crystal structures of six 4-(4-nitro­phenyl)­piperazin-1-ium salts
title_full_unstemmed Crystal structures of six 4-(4-nitro­phenyl)­piperazin-1-ium salts
title_short Crystal structures of six 4-(4-nitro­phenyl)­piperazin-1-ium salts
title_sort crystal structures of six 4-(4-nitro­phenyl)­piperazin-1-ium salts
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9069513/
https://www.ncbi.nlm.nih.gov/pubmed/35547797
http://dx.doi.org/10.1107/S2056989022004157
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