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Synthesis and crystal structures of 1-benzoyl-4-(4-nitrophenyl)piperazine and 1-(4-bromobenzoyl)-4-phenylpiperazine at 90 K
Synthesis and crystal structures of 1-benzoyl-4-(4-nitrophenyl)piperazine, C(17)H(17)N(3)O(3), (I) and 1-(4-bromobenzoyl)-4-phenylpiperazine, C(17)H(17)BrN(2)O, (II) are described. Compounds I and II crystallize in the orthorhombic and monoclinic crystal systems with space groups Pna2(1) (Z′...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9535836/ https://www.ncbi.nlm.nih.gov/pubmed/36250114 http://dx.doi.org/10.1107/S2056989022009008 |
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author | Archana, Sreeramapura D. Kiran Kumar, Haruvegowda Shankara Prasad, Holehundi J. Yathirajan, Hemmige S. Parkin, Sean |
author_facet | Archana, Sreeramapura D. Kiran Kumar, Haruvegowda Shankara Prasad, Holehundi J. Yathirajan, Hemmige S. Parkin, Sean |
author_sort | Archana, Sreeramapura D. |
collection | PubMed |
description | Synthesis and crystal structures of 1-benzoyl-4-(4-nitrophenyl)piperazine, C(17)H(17)N(3)O(3), (I) and 1-(4-bromobenzoyl)-4-phenylpiperazine, C(17)H(17)BrN(2)O, (II) are described. Compounds I and II crystallize in the orthorhombic and monoclinic crystal systems with space groups Pna2(1) (Z′ = 2, I) and P2(1) (Z′ = 1, II), respectively. The crystal of II was a two-component aggregate, treated as a ‘twin’ for data-acquisition purposes. There are no conventional hydrogen bonds in either I or II, but there are weaker C—H⋯O contacts. Each molecule consists of a central piperazine ring in a chair conformation, with either benzoyl and nitrophenyl (I) or 4-bromobenzoyl and phenyl (II) groups attached to different nitrogen atoms of the piperazine. The various atom–atom contact coverages as quantified by Hirshfeld surface analysis fingerprint plots are given. |
format | Online Article Text |
id | pubmed-9535836 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-95358362022-10-13 Synthesis and crystal structures of 1-benzoyl-4-(4-nitrophenyl)piperazine and 1-(4-bromobenzoyl)-4-phenylpiperazine at 90 K Archana, Sreeramapura D. Kiran Kumar, Haruvegowda Shankara Prasad, Holehundi J. Yathirajan, Hemmige S. Parkin, Sean Acta Crystallogr E Crystallogr Commun Research Communications Synthesis and crystal structures of 1-benzoyl-4-(4-nitrophenyl)piperazine, C(17)H(17)N(3)O(3), (I) and 1-(4-bromobenzoyl)-4-phenylpiperazine, C(17)H(17)BrN(2)O, (II) are described. Compounds I and II crystallize in the orthorhombic and monoclinic crystal systems with space groups Pna2(1) (Z′ = 2, I) and P2(1) (Z′ = 1, II), respectively. The crystal of II was a two-component aggregate, treated as a ‘twin’ for data-acquisition purposes. There are no conventional hydrogen bonds in either I or II, but there are weaker C—H⋯O contacts. Each molecule consists of a central piperazine ring in a chair conformation, with either benzoyl and nitrophenyl (I) or 4-bromobenzoyl and phenyl (II) groups attached to different nitrogen atoms of the piperazine. The various atom–atom contact coverages as quantified by Hirshfeld surface analysis fingerprint plots are given. International Union of Crystallography 2022-09-22 /pmc/articles/PMC9535836/ /pubmed/36250114 http://dx.doi.org/10.1107/S2056989022009008 Text en © Archana 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 Archana, Sreeramapura D. Kiran Kumar, Haruvegowda Shankara Prasad, Holehundi J. Yathirajan, Hemmige S. Parkin, Sean Synthesis and crystal structures of 1-benzoyl-4-(4-nitrophenyl)piperazine and 1-(4-bromobenzoyl)-4-phenylpiperazine at 90 K |
title | Synthesis and crystal structures of 1-benzoyl-4-(4-nitrophenyl)piperazine and 1-(4-bromobenzoyl)-4-phenylpiperazine at 90 K |
title_full | Synthesis and crystal structures of 1-benzoyl-4-(4-nitrophenyl)piperazine and 1-(4-bromobenzoyl)-4-phenylpiperazine at 90 K |
title_fullStr | Synthesis and crystal structures of 1-benzoyl-4-(4-nitrophenyl)piperazine and 1-(4-bromobenzoyl)-4-phenylpiperazine at 90 K |
title_full_unstemmed | Synthesis and crystal structures of 1-benzoyl-4-(4-nitrophenyl)piperazine and 1-(4-bromobenzoyl)-4-phenylpiperazine at 90 K |
title_short | Synthesis and crystal structures of 1-benzoyl-4-(4-nitrophenyl)piperazine and 1-(4-bromobenzoyl)-4-phenylpiperazine at 90 K |
title_sort | synthesis and crystal structures of 1-benzoyl-4-(4-nitrophenyl)piperazine and 1-(4-bromobenzoyl)-4-phenylpiperazine at 90 k |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9535836/ https://www.ncbi.nlm.nih.gov/pubmed/36250114 http://dx.doi.org/10.1107/S2056989022009008 |
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