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Aqua(4-nitrophthalato)bis[2-(1H-pyrazol-3-yl)pyridine]zinc(II) hemihydrate
In the title compound, [Zn(C(8)H(3)NO(6))(C(8)H(7)N(3))(2)(H(2)O)]·0.5H(2)O, the Zn(II) atom shows a distorted octahedral ZnN(4)O(2) coordination environment and is bonded to two 3-(2-pyridyl)-1H-pyrazole ligands via the N atoms, one monodentate 4-nitrophthalate ligand and one associated water mo...
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050407/ https://www.ncbi.nlm.nih.gov/pubmed/21522519 http://dx.doi.org/10.1107/S1600536810051949 |
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author | Ni, Lei Zhao, Ji-Li Wei, Hong |
author_facet | Ni, Lei Zhao, Ji-Li Wei, Hong |
author_sort | Ni, Lei |
collection | PubMed |
description | In the title compound, [Zn(C(8)H(3)NO(6))(C(8)H(7)N(3))(2)(H(2)O)]·0.5H(2)O, the Zn(II) atom shows a distorted octahedral ZnN(4)O(2) coordination environment and is bonded to two 3-(2-pyridyl)-1H-pyrazole ligands via the N atoms, one monodentate 4-nitrophthalate ligand and one associated water molecule. Additionally, one water of crystallization, with a site-occupation factor of 0.5, is present. The two 3-(2-pyridyl)-1H-pyrazole ligands are planar [r.m.s. deviations = 0.03 (1) and 0.35 (1) Å] and the dihedral angle between the two planar 3-(2-pyridyl)-1H-pyrazole ligands is 67.31 (4)°. Intermolecular π–π stacking interactions between 3-(2-pyridyl)-1H-pyrazole ligands with a face-to-face separation of 3.64 (1) Å are observed. Moreover, the crystal structure is stabilized by O—H⋯O and N—H⋯O hydrogen bonds between the water of crystallization, the associated water molecule and the 3-(2-pyridyl)-1H-pyrazole ligands. |
format | Text |
id | pubmed-3050407 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30504072011-04-26 Aqua(4-nitrophthalato)bis[2-(1H-pyrazol-3-yl)pyridine]zinc(II) hemihydrate Ni, Lei Zhao, Ji-Li Wei, Hong Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the title compound, [Zn(C(8)H(3)NO(6))(C(8)H(7)N(3))(2)(H(2)O)]·0.5H(2)O, the Zn(II) atom shows a distorted octahedral ZnN(4)O(2) coordination environment and is bonded to two 3-(2-pyridyl)-1H-pyrazole ligands via the N atoms, one monodentate 4-nitrophthalate ligand and one associated water molecule. Additionally, one water of crystallization, with a site-occupation factor of 0.5, is present. The two 3-(2-pyridyl)-1H-pyrazole ligands are planar [r.m.s. deviations = 0.03 (1) and 0.35 (1) Å] and the dihedral angle between the two planar 3-(2-pyridyl)-1H-pyrazole ligands is 67.31 (4)°. Intermolecular π–π stacking interactions between 3-(2-pyridyl)-1H-pyrazole ligands with a face-to-face separation of 3.64 (1) Å are observed. Moreover, the crystal structure is stabilized by O—H⋯O and N—H⋯O hydrogen bonds between the water of crystallization, the associated water molecule and the 3-(2-pyridyl)-1H-pyrazole ligands. International Union of Crystallography 2010-12-24 /pmc/articles/PMC3050407/ /pubmed/21522519 http://dx.doi.org/10.1107/S1600536810051949 Text en © Ni et al. 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Metal-Organic Papers Ni, Lei Zhao, Ji-Li Wei, Hong Aqua(4-nitrophthalato)bis[2-(1H-pyrazol-3-yl)pyridine]zinc(II) hemihydrate |
title | Aqua(4-nitrophthalato)bis[2-(1H-pyrazol-3-yl)pyridine]zinc(II) hemihydrate |
title_full | Aqua(4-nitrophthalato)bis[2-(1H-pyrazol-3-yl)pyridine]zinc(II) hemihydrate |
title_fullStr | Aqua(4-nitrophthalato)bis[2-(1H-pyrazol-3-yl)pyridine]zinc(II) hemihydrate |
title_full_unstemmed | Aqua(4-nitrophthalato)bis[2-(1H-pyrazol-3-yl)pyridine]zinc(II) hemihydrate |
title_short | Aqua(4-nitrophthalato)bis[2-(1H-pyrazol-3-yl)pyridine]zinc(II) hemihydrate |
title_sort | aqua(4-nitrophthalato)bis[2-(1h-pyrazol-3-yl)pyridine]zinc(ii) hemihydrate |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050407/ https://www.ncbi.nlm.nih.gov/pubmed/21522519 http://dx.doi.org/10.1107/S1600536810051949 |
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