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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...

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Autores principales: El Hamdani, Hicham, El Amane, Mohamed, Saadi, Mohamed, El Ammari, Lahcen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
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.
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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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