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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(...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2022
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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. |
format | Online Article Text |
id | pubmed-9361384 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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