Cargando…
Crystal structure and Hirshfeld surface analysis of trans-2,5-dimethylpiperazine-1,4-diium tetrachloridocobaltate(II)
In the title molecular salt, (C(6)H(16)N(2))[CoCl(4)], the complete dication is generated by crystallographic inversion symmetry and the piperazine ring adopts a chair conformation with the pendant methyl groups in equatorial orientations. The complete dianion is generated by crystallographic twofo...
Autores principales: | , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2021
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8025852/ https://www.ncbi.nlm.nih.gov/pubmed/33936770 http://dx.doi.org/10.1107/S2056989021002954 |
_version_ | 1783675567517728768 |
---|---|
author | Landolsi, Meriem Abid, Sonia |
author_facet | Landolsi, Meriem Abid, Sonia |
author_sort | Landolsi, Meriem |
collection | PubMed |
description | In the title molecular salt, (C(6)H(16)N(2))[CoCl(4)], the complete dication is generated by crystallographic inversion symmetry and the piperazine ring adopts a chair conformation with the pendant methyl groups in equatorial orientations. The complete dianion is generated by crystallographic twofold symmetry. In the crystal, the (C(6)H(16)N(2))(2+) and [CoCl(4)](2−) ions are linked by N—H⋯Cl and C—H⋯Cl hydrogen bonds, thereby forming a two-dimensional supramolecular network. The Hirshfeld surface analysis and fingerprint plots reveal that the largest contributions to the crystal stability come from H⋯Cl/Cl⋯H (68.4%) and H⋯H (27.4%) contacts. |
format | Online Article Text |
id | pubmed-8025852 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-80258522021-04-30 Crystal structure and Hirshfeld surface analysis of trans-2,5-dimethylpiperazine-1,4-diium tetrachloridocobaltate(II) Landolsi, Meriem Abid, Sonia Acta Crystallogr E Crystallogr Commun Research Communications In the title molecular salt, (C(6)H(16)N(2))[CoCl(4)], the complete dication is generated by crystallographic inversion symmetry and the piperazine ring adopts a chair conformation with the pendant methyl groups in equatorial orientations. The complete dianion is generated by crystallographic twofold symmetry. In the crystal, the (C(6)H(16)N(2))(2+) and [CoCl(4)](2−) ions are linked by N—H⋯Cl and C—H⋯Cl hydrogen bonds, thereby forming a two-dimensional supramolecular network. The Hirshfeld surface analysis and fingerprint plots reveal that the largest contributions to the crystal stability come from H⋯Cl/Cl⋯H (68.4%) and H⋯H (27.4%) contacts. International Union of Crystallography 2021-03-26 /pmc/articles/PMC8025852/ /pubmed/33936770 http://dx.doi.org/10.1107/S2056989021002954 Text en © Landolsi and Abid 2021 http://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.http://creativecommons.org/licenses/by/4.0/ |
spellingShingle | Research Communications Landolsi, Meriem Abid, Sonia Crystal structure and Hirshfeld surface analysis of trans-2,5-dimethylpiperazine-1,4-diium tetrachloridocobaltate(II) |
title | Crystal structure and Hirshfeld surface analysis of trans-2,5-dimethylpiperazine-1,4-diium tetrachloridocobaltate(II) |
title_full | Crystal structure and Hirshfeld surface analysis of trans-2,5-dimethylpiperazine-1,4-diium tetrachloridocobaltate(II) |
title_fullStr | Crystal structure and Hirshfeld surface analysis of trans-2,5-dimethylpiperazine-1,4-diium tetrachloridocobaltate(II) |
title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of trans-2,5-dimethylpiperazine-1,4-diium tetrachloridocobaltate(II) |
title_short | Crystal structure and Hirshfeld surface analysis of trans-2,5-dimethylpiperazine-1,4-diium tetrachloridocobaltate(II) |
title_sort | crystal structure and hirshfeld surface analysis of trans-2,5-dimethylpiperazine-1,4-diium tetrachloridocobaltate(ii) |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8025852/ https://www.ncbi.nlm.nih.gov/pubmed/33936770 http://dx.doi.org/10.1107/S2056989021002954 |
work_keys_str_mv | AT landolsimeriem crystalstructureandhirshfeldsurfaceanalysisoftrans25dimethylpiperazine14diiumtetrachloridocobaltateii AT abidsonia crystalstructureandhirshfeldsurfaceanalysisoftrans25dimethylpiperazine14diiumtetrachloridocobaltateii |