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Syntheses and crystal structures of 4-(4-nitro­phen­yl)piperazin-1-ium benzoate monohydrate and 4-(4-nitro­phen­yl)piperazin-1-ium 2-carb­oxy-4,6-di­nitro­phenolate

Crystal structures are reported for two mol­ecular salts containing the 4-(4-nitro­phen­yl)piperazin-1-ium cation. Co-crystallization from methanol/ethyl acetate solution of N-(4-nitro­phen­yl)piperazine with benzoic acid gives the benzoate salt, which crystallizes as a monohydrate, C(10)H(14)N(3)O(...

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Autores principales: Shankara Prasad, Holehundi J., Devaraju, Vinaya, Yathirajan, Hemmige S., Parkin, Sean R., Glidewell, Christopher
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9361384/
https://www.ncbi.nlm.nih.gov/pubmed/35974828
http://dx.doi.org/10.1107/S2056989022007472
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author Shankara Prasad, Holehundi J.
Devaraju,
Vinaya,
Yathirajan, Hemmige S.
Parkin, Sean R.
Glidewell, Christopher
author_facet Shankara Prasad, Holehundi J.
Devaraju,
Vinaya,
Yathirajan, Hemmige S.
Parkin, Sean R.
Glidewell, Christopher
author_sort Shankara Prasad, Holehundi J.
collection PubMed
description Crystal structures are reported for two mol­ecular salts containing the 4-(4-nitro­phen­yl)piperazin-1-ium cation. Co-crystallization from methanol/ethyl acetate solution of N-(4-nitro­phen­yl)piperazine with benzoic acid gives the benzoate salt, which crystallizes as a monohydrate, C(10)H(14)N(3)O(2)·C(7)H(5)O(2)·H(2)O, (I), and similar co-crystallization with 3,5-di­nitro­salicylic acid yields the 2-carb­oxy-4,6-di­nitro­phenolate salt, C(10)H(14)N(3)O(2)·C(7)H(3)N(2)O(7), (II). In the structure of (I), a combination of O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds links the components into sheets, while in the structure of (II), the supra­molecular assembly, generated by hydrogen bonds of the same types as in (I), is three dimensional. Comparisons are made with the structures of some related compounds.
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spelling pubmed-93613842022-08-15 Syntheses and crystal structures of 4-(4-nitro­phen­yl)piperazin-1-ium benzoate monohydrate and 4-(4-nitro­phen­yl)piperazin-1-ium 2-carb­oxy-4,6-di­nitro­phenolate Shankara Prasad, Holehundi J. Devaraju, Vinaya, Yathirajan, Hemmige S. Parkin, Sean R. Glidewell, Christopher Acta Crystallogr E Crystallogr Commun Research Communications Crystal structures are reported for two mol­ecular salts containing the 4-(4-nitro­phen­yl)piperazin-1-ium cation. Co-crystallization from methanol/ethyl acetate solution of N-(4-nitro­phen­yl)piperazine with benzoic acid gives the benzoate salt, which crystallizes as a monohydrate, C(10)H(14)N(3)O(2)·C(7)H(5)O(2)·H(2)O, (I), and similar co-crystallization with 3,5-di­nitro­salicylic acid yields the 2-carb­oxy-4,6-di­nitro­phenolate salt, C(10)H(14)N(3)O(2)·C(7)H(3)N(2)O(7), (II). In the structure of (I), a combination of O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds links the components into sheets, while in the structure of (II), the supra­molecular assembly, generated by hydrogen bonds of the same types as in (I), is three dimensional. Comparisons are made with the structures of some related compounds. International Union of Crystallography 2022-07-26 /pmc/articles/PMC9361384/ /pubmed/35974828 http://dx.doi.org/10.1107/S2056989022007472 Text en © Shankara Prasad 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
Shankara Prasad, Holehundi J.
Devaraju,
Vinaya,
Yathirajan, Hemmige S.
Parkin, Sean R.
Glidewell, Christopher
Syntheses and crystal structures of 4-(4-nitro­phen­yl)piperazin-1-ium benzoate monohydrate and 4-(4-nitro­phen­yl)piperazin-1-ium 2-carb­oxy-4,6-di­nitro­phenolate
title Syntheses and crystal structures of 4-(4-nitro­phen­yl)piperazin-1-ium benzoate monohydrate and 4-(4-nitro­phen­yl)piperazin-1-ium 2-carb­oxy-4,6-di­nitro­phenolate
title_full Syntheses and crystal structures of 4-(4-nitro­phen­yl)piperazin-1-ium benzoate monohydrate and 4-(4-nitro­phen­yl)piperazin-1-ium 2-carb­oxy-4,6-di­nitro­phenolate
title_fullStr Syntheses and crystal structures of 4-(4-nitro­phen­yl)piperazin-1-ium benzoate monohydrate and 4-(4-nitro­phen­yl)piperazin-1-ium 2-carb­oxy-4,6-di­nitro­phenolate
title_full_unstemmed Syntheses and crystal structures of 4-(4-nitro­phen­yl)piperazin-1-ium benzoate monohydrate and 4-(4-nitro­phen­yl)piperazin-1-ium 2-carb­oxy-4,6-di­nitro­phenolate
title_short Syntheses and crystal structures of 4-(4-nitro­phen­yl)piperazin-1-ium benzoate monohydrate and 4-(4-nitro­phen­yl)piperazin-1-ium 2-carb­oxy-4,6-di­nitro­phenolate
title_sort syntheses and crystal structures of 4-(4-nitro­phen­yl)piperazin-1-ium benzoate monohydrate and 4-(4-nitro­phen­yl)piperazin-1-ium 2-carb­oxy-4,6-di­nitro­phenolate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9361384/
https://www.ncbi.nlm.nih.gov/pubmed/35974828
http://dx.doi.org/10.1107/S2056989022007472
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