Crystal-structure studies of 4-phenylpiperazin-1-ium 4-ethoxybenzoate monohydrate, 4-phenylpiperazin-1-ium 4-methoxybenzoate monohydrate, 4-phenylpiperazin-1-ium 4-methylbenzoate monohydrate and 4-phenylpiperazin-1-ium trifluoroacetate 0.12-hydrate

In this study, four new piperazinium salts, namely, 4-phenylpiperazin-1-ium 4ethoxybenzoate monohydrate, C9H9O3.C10H15N2.H2O(I); 4-phenylpiperazin-1ium 4-methoxybenzoate monohydrate, C10H15N2.C8H7O3.H2O(II); 4-phenylpiperazin-1-ium 4-methylbenzoate monohydrate, C10H15N2.C8H7O2.H2O(III); and 4-phenyl...

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Authors: Mahesha, Ninganayaka, Kiran Kumar, Haruvegowda, Akkurt, Mehmet, Yathirajan, Hemmige S., Foro, Sabine, Abdelbaky, Mohammed S. M., García-Granda, Santiago
Format: article
Status:Published version
Publication Date:2022
Country:España
Institution:Consejo Superior de Investigaciones Científicas (CSIC)
Repository:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/279590
Online Access:http://hdl.handle.net/10261/279590
Access Level:Open access
Keyword:Crystal structures
Hydrogen bonding
Piperazine
Biological activities
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repository_id_str
spelling Crystal-structure studies of 4-phenylpiperazin-1-ium 4-ethoxybenzoate monohydrate, 4-phenylpiperazin-1-ium 4-methoxybenzoate monohydrate, 4-phenylpiperazin-1-ium 4-methylbenzoate monohydrate and 4-phenylpiperazin-1-ium trifluoroacetate 0.12-hydrateMahesha, NinganayakaKiran Kumar, HaruvegowdaAkkurt, MehmetYathirajan, Hemmige S.Foro, SabineAbdelbaky, Mohammed S. M.García-Granda, SantiagoCrystal structuresHydrogen bondingPiperazineBiological activitiesIn this study, four new piperazinium salts, namely, 4-phenylpiperazin-1-ium 4ethoxybenzoate monohydrate, C9H9O3.C10H15N2.H2O(I); 4-phenylpiperazin-1ium 4-methoxybenzoate monohydrate, C10H15N2.C8H7O3.H2O(II); 4-phenylpiperazin-1-ium 4-methylbenzoate monohydrate, C10H15N2.C8H7O2.H2O(III); and 4-phenylpiperazin-1-ium trifluoroacetate 0.12 hydrate, C10H15N2.C2F3O20.12H2O(IV), have been synthesized. The single-crystal structures of these compounds reveal that all of them crystallize in the triclinic P1space group and the crystal packing of (I)–(III) is built up of ribbons formed by a combination of hydrogen bonds of type N—HO, O—HO and other weak interactions of type C—HOand C—H,leading to a three-dimensional network. In the crystal of (IV), the cations and the anions are connected by C—HO, N— HOandC—HFhydrogen bonds and by C—Hinteractions, forming sheets which in turn interact to maintain the crystal structure by linking through the oxygen atoms of water molecules and van der Waals interactions, giving the whole structure.Funding for this research was provided by: Ministerio de Ciencia e Innovacion (grant No.PID2020-113558RB-C41 to S. Garcia-Granda, M.S.M. Abdelbaky); Gobierno del Principado de Asturias (grant No.AYUD/2021/50997 to S. Garcia Granda, M.S.M. Abdelbaky).Peer reviewedInternational Union of CrystallographyMinisterio de Ciencia, Innovación y Universidades (España)Agencia Estatal de Investigación (España)Principado de AsturiasConsejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]202220222022info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Publisher's versioninfo:eu-repo/semantics/publishedVersionhttp://hdl.handle.net/10261/279590reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Inglés#PLACEHOLDER_PARENT_METADATA_VALUE#info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2020-113558RB-C41The underlying dataset has been published as supplementary material of the article in the publisher platform at DOI 10.1107/S2056989022006004https://doi.org/10.1107/S2056989022006004Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/2795902026-05-22T06:33:51Z
dc.title.none.fl_str_mv Crystal-structure studies of 4-phenylpiperazin-1-ium 4-ethoxybenzoate monohydrate, 4-phenylpiperazin-1-ium 4-methoxybenzoate monohydrate, 4-phenylpiperazin-1-ium 4-methylbenzoate monohydrate and 4-phenylpiperazin-1-ium trifluoroacetate 0.12-hydrate
title Crystal-structure studies of 4-phenylpiperazin-1-ium 4-ethoxybenzoate monohydrate, 4-phenylpiperazin-1-ium 4-methoxybenzoate monohydrate, 4-phenylpiperazin-1-ium 4-methylbenzoate monohydrate and 4-phenylpiperazin-1-ium trifluoroacetate 0.12-hydrate
spellingShingle Crystal-structure studies of 4-phenylpiperazin-1-ium 4-ethoxybenzoate monohydrate, 4-phenylpiperazin-1-ium 4-methoxybenzoate monohydrate, 4-phenylpiperazin-1-ium 4-methylbenzoate monohydrate and 4-phenylpiperazin-1-ium trifluoroacetate 0.12-hydrate
Mahesha, Ninganayaka
Crystal structures
Hydrogen bonding
Piperazine
Biological activities
title_short Crystal-structure studies of 4-phenylpiperazin-1-ium 4-ethoxybenzoate monohydrate, 4-phenylpiperazin-1-ium 4-methoxybenzoate monohydrate, 4-phenylpiperazin-1-ium 4-methylbenzoate monohydrate and 4-phenylpiperazin-1-ium trifluoroacetate 0.12-hydrate
title_full Crystal-structure studies of 4-phenylpiperazin-1-ium 4-ethoxybenzoate monohydrate, 4-phenylpiperazin-1-ium 4-methoxybenzoate monohydrate, 4-phenylpiperazin-1-ium 4-methylbenzoate monohydrate and 4-phenylpiperazin-1-ium trifluoroacetate 0.12-hydrate
title_fullStr Crystal-structure studies of 4-phenylpiperazin-1-ium 4-ethoxybenzoate monohydrate, 4-phenylpiperazin-1-ium 4-methoxybenzoate monohydrate, 4-phenylpiperazin-1-ium 4-methylbenzoate monohydrate and 4-phenylpiperazin-1-ium trifluoroacetate 0.12-hydrate
title_full_unstemmed Crystal-structure studies of 4-phenylpiperazin-1-ium 4-ethoxybenzoate monohydrate, 4-phenylpiperazin-1-ium 4-methoxybenzoate monohydrate, 4-phenylpiperazin-1-ium 4-methylbenzoate monohydrate and 4-phenylpiperazin-1-ium trifluoroacetate 0.12-hydrate
title_sort Crystal-structure studies of 4-phenylpiperazin-1-ium 4-ethoxybenzoate monohydrate, 4-phenylpiperazin-1-ium 4-methoxybenzoate monohydrate, 4-phenylpiperazin-1-ium 4-methylbenzoate monohydrate and 4-phenylpiperazin-1-ium trifluoroacetate 0.12-hydrate
dc.creator.none.fl_str_mv Mahesha, Ninganayaka
Kiran Kumar, Haruvegowda
Akkurt, Mehmet
Yathirajan, Hemmige S.
Foro, Sabine
Abdelbaky, Mohammed S. M.
García-Granda, Santiago
author Mahesha, Ninganayaka
author_facet Mahesha, Ninganayaka
Kiran Kumar, Haruvegowda
Akkurt, Mehmet
Yathirajan, Hemmige S.
Foro, Sabine
Abdelbaky, Mohammed S. M.
García-Granda, Santiago
author_role author
author2 Kiran Kumar, Haruvegowda
Akkurt, Mehmet
Yathirajan, Hemmige S.
Foro, Sabine
Abdelbaky, Mohammed S. M.
García-Granda, Santiago
author2_role author
author
author
author
author
author
dc.contributor.none.fl_str_mv Ministerio de Ciencia, Innovación y Universidades (España)
Agencia Estatal de Investigación (España)
Principado de Asturias
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
dc.subject.none.fl_str_mv Crystal structures
Hydrogen bonding
Piperazine
Biological activities
topic Crystal structures
Hydrogen bonding
Piperazine
Biological activities
description In this study, four new piperazinium salts, namely, 4-phenylpiperazin-1-ium 4ethoxybenzoate monohydrate, C9H9O3.C10H15N2.H2O(I); 4-phenylpiperazin-1ium 4-methoxybenzoate monohydrate, C10H15N2.C8H7O3.H2O(II); 4-phenylpiperazin-1-ium 4-methylbenzoate monohydrate, C10H15N2.C8H7O2.H2O(III); and 4-phenylpiperazin-1-ium trifluoroacetate 0.12 hydrate, C10H15N2.C2F3O20.12H2O(IV), have been synthesized. The single-crystal structures of these compounds reveal that all of them crystallize in the triclinic P1space group and the crystal packing of (I)–(III) is built up of ribbons formed by a combination of hydrogen bonds of type N—HO, O—HO and other weak interactions of type C—HOand C—H,leading to a three-dimensional network. In the crystal of (IV), the cations and the anions are connected by C—HO, N— HOandC—HFhydrogen bonds and by C—Hinteractions, forming sheets which in turn interact to maintain the crystal structure by linking through the oxygen atoms of water molecules and van der Waals interactions, giving the whole structure.
publishDate 2022
dc.date.none.fl_str_mv 2022
2022
2022
dc.type.none.fl_str_mv info:eu-repo/semantics/article
http://purl.org/coar/resource_type/c_6501
Publisher's version
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/279590
url http://hdl.handle.net/10261/279590
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv #PLACEHOLDER_PARENT_METADATA_VALUE#
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2020-113558RB-C41
The underlying dataset has been published as supplementary material of the article in the publisher platform at DOI 10.1107/S2056989022006004
https://doi.org/10.1107/S2056989022006004
Sí
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv International Union of Crystallography
publisher.none.fl_str_mv International Union of Crystallography
dc.source.none.fl_str_mv reponame:DIGITAL.CSIC. Repositorio Institucional del CSIC
instname:Consejo Superior de Investigaciones Científicas (CSIC)
instname_str Consejo Superior de Investigaciones Científicas (CSIC)
reponame_str DIGITAL.CSIC. Repositorio Institucional del CSIC
collection DIGITAL.CSIC. Repositorio Institucional del CSIC
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,812429

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