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Crystal structure and Hirshfeld surface analysis of (C(7)H(9)N(4)O(2))[ZnCl(3)(H(2)O)]
In the title molecular salt, 1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium aquatrichloridozincate(II), (C(7)H(9)N(4)O(2))[ZnCl(3)(H(2)O)], the fused ring system of the cation is close to planar, with the largest deviation from the mean plane being 0.037 (3) Å. In the complex anion, t...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7133037/ https://www.ncbi.nlm.nih.gov/pubmed/32280493 http://dx.doi.org/10.1107/S2056989020002753 |
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author | El Hamdani, Hicham El Amane, Mohamed Saadi, Mohamed El Ammari, Lahcen |
author_facet | El Hamdani, Hicham El Amane, Mohamed Saadi, Mohamed El Ammari, Lahcen |
author_sort | El Hamdani, Hicham |
collection | PubMed |
description | In the title molecular salt, 1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium aquatrichloridozincate(II), (C(7)H(9)N(4)O(2))[ZnCl(3)(H(2)O)], the fused ring system of the cation is close to planar, with the largest deviation from the mean plane being 0.037 (3) Å. In the complex anion, the Zn(II) cation is coordinated by three chloride ions and one oxygen atom from the water ligand in a distorted tetrahedral geometry. In the crystal, inversion dimers between pairs of cations linked by pairwise N—H⋯O hydrogen bonds generate R (2) (2)(10) rings. The anions are linked into dimers by pairs of O—H⋯Cl hydrogen bonds and the respective dimers are linked by O—H⋯O and N—H⋯Cl hydrogen bonds. Together, these generate a three-dimensional supramolecular network. Hirshfeld surfaces were generated to gain further insight into the packing. |
format | Online Article Text |
id | pubmed-7133037 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-71330372020-04-10 Crystal structure and Hirshfeld surface analysis of (C(7)H(9)N(4)O(2))[ZnCl(3)(H(2)O)] El Hamdani, Hicham El Amane, Mohamed Saadi, Mohamed El Ammari, Lahcen Acta Crystallogr E Crystallogr Commun Research Communications In the title molecular salt, 1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium aquatrichloridozincate(II), (C(7)H(9)N(4)O(2))[ZnCl(3)(H(2)O)], the fused ring system of the cation is close to planar, with the largest deviation from the mean plane being 0.037 (3) Å. In the complex anion, the Zn(II) cation is coordinated by three chloride ions and one oxygen atom from the water ligand in a distorted tetrahedral geometry. In the crystal, inversion dimers between pairs of cations linked by pairwise N—H⋯O hydrogen bonds generate R (2) (2)(10) rings. The anions are linked into dimers by pairs of O—H⋯Cl hydrogen bonds and the respective dimers are linked by O—H⋯O and N—H⋯Cl hydrogen bonds. Together, these generate a three-dimensional supramolecular network. Hirshfeld surfaces were generated to gain further insight into the packing. International Union of Crystallography 2020-03-10 /pmc/articles/PMC7133037/ /pubmed/32280493 http://dx.doi.org/10.1107/S2056989020002753 Text en © EL Hamdani et al. 2020 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 El Hamdani, Hicham El Amane, Mohamed Saadi, Mohamed El Ammari, Lahcen Crystal structure and Hirshfeld surface analysis of (C(7)H(9)N(4)O(2))[ZnCl(3)(H(2)O)] |
title | Crystal structure and Hirshfeld surface analysis of (C(7)H(9)N(4)O(2))[ZnCl(3)(H(2)O)] |
title_full | Crystal structure and Hirshfeld surface analysis of (C(7)H(9)N(4)O(2))[ZnCl(3)(H(2)O)] |
title_fullStr | Crystal structure and Hirshfeld surface analysis of (C(7)H(9)N(4)O(2))[ZnCl(3)(H(2)O)] |
title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of (C(7)H(9)N(4)O(2))[ZnCl(3)(H(2)O)] |
title_short | Crystal structure and Hirshfeld surface analysis of (C(7)H(9)N(4)O(2))[ZnCl(3)(H(2)O)] |
title_sort | crystal structure and hirshfeld surface analysis of (c(7)h(9)n(4)o(2))[zncl(3)(h(2)o)] |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7133037/ https://www.ncbi.nlm.nih.gov/pubmed/32280493 http://dx.doi.org/10.1107/S2056989020002753 |
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