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(3-Acetyl-4-methyl-1H-pyrazol-1-ide-5-carboxylato)bis(1,10-phenanthroline)nickel(II) 3.5-hydrate
The title compound, [Ni(C(7)H(6)N(2)O(3))(C(12)H(8)N(2))(2)]·3.5H(2)O, crystallizes as a neutral mononuclear complex with 3.5 solvent water molecules. One of the water molecules lies on an inversion centre, so that its H atoms are disordered over two sites. The coordination environment of Ni(II) h...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3772441/ https://www.ncbi.nlm.nih.gov/pubmed/24046584 http://dx.doi.org/10.1107/S1600536813017194 |
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author | Malinkin, Sergey Kapshuk, Anatoliy A. Gumienna-Kontecka, Elzbieta Prisyazhnaya, Elena V. Iskenderov, Turganbay S. |
author_facet | Malinkin, Sergey Kapshuk, Anatoliy A. Gumienna-Kontecka, Elzbieta Prisyazhnaya, Elena V. Iskenderov, Turganbay S. |
author_sort | Malinkin, Sergey |
collection | PubMed |
description | The title compound, [Ni(C(7)H(6)N(2)O(3))(C(12)H(8)N(2))(2)]·3.5H(2)O, crystallizes as a neutral mononuclear complex with 3.5 solvent water molecules. One of the water molecules lies on an inversion centre, so that its H atoms are disordered over two sites. The coordination environment of Ni(II) has a slightly distorted octahedral geometry, which is formed by one O and five N atoms belonging to the N,O-chelating pyrazol-1-ide-5-carboxylate and two N,N′-chelating phenanthroline molecules. In the crystal, O—H⋯O, N—H⋯O and O—H⋯N hydrogen bonds involving the solvent water molecules and pyrazole-5-carboxylate ligands form layers parallel to the ab plane. These layers are linked further via weak π–π interactions between two adjacent phenanthroline molecules, with centroid-to-centroid distances in the range 3.886 (2)–4.018 (1) Å, together with C—H⋯π contacts, forming a three-dimensional network. |
format | Online Article Text |
id | pubmed-3772441 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-37724412013-09-17 (3-Acetyl-4-methyl-1H-pyrazol-1-ide-5-carboxylato)bis(1,10-phenanthroline)nickel(II) 3.5-hydrate Malinkin, Sergey Kapshuk, Anatoliy A. Gumienna-Kontecka, Elzbieta Prisyazhnaya, Elena V. Iskenderov, Turganbay S. Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The title compound, [Ni(C(7)H(6)N(2)O(3))(C(12)H(8)N(2))(2)]·3.5H(2)O, crystallizes as a neutral mononuclear complex with 3.5 solvent water molecules. One of the water molecules lies on an inversion centre, so that its H atoms are disordered over two sites. The coordination environment of Ni(II) has a slightly distorted octahedral geometry, which is formed by one O and five N atoms belonging to the N,O-chelating pyrazol-1-ide-5-carboxylate and two N,N′-chelating phenanthroline molecules. In the crystal, O—H⋯O, N—H⋯O and O—H⋯N hydrogen bonds involving the solvent water molecules and pyrazole-5-carboxylate ligands form layers parallel to the ab plane. These layers are linked further via weak π–π interactions between two adjacent phenanthroline molecules, with centroid-to-centroid distances in the range 3.886 (2)–4.018 (1) Å, together with C—H⋯π contacts, forming a three-dimensional network. International Union of Crystallography 2013-06-26 /pmc/articles/PMC3772441/ /pubmed/24046584 http://dx.doi.org/10.1107/S1600536813017194 Text en © Malinkin et al. 2013 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 Malinkin, Sergey Kapshuk, Anatoliy A. Gumienna-Kontecka, Elzbieta Prisyazhnaya, Elena V. Iskenderov, Turganbay S. (3-Acetyl-4-methyl-1H-pyrazol-1-ide-5-carboxylato)bis(1,10-phenanthroline)nickel(II) 3.5-hydrate |
title | (3-Acetyl-4-methyl-1H-pyrazol-1-ide-5-carboxylato)bis(1,10-phenanthroline)nickel(II) 3.5-hydrate |
title_full | (3-Acetyl-4-methyl-1H-pyrazol-1-ide-5-carboxylato)bis(1,10-phenanthroline)nickel(II) 3.5-hydrate |
title_fullStr | (3-Acetyl-4-methyl-1H-pyrazol-1-ide-5-carboxylato)bis(1,10-phenanthroline)nickel(II) 3.5-hydrate |
title_full_unstemmed | (3-Acetyl-4-methyl-1H-pyrazol-1-ide-5-carboxylato)bis(1,10-phenanthroline)nickel(II) 3.5-hydrate |
title_short | (3-Acetyl-4-methyl-1H-pyrazol-1-ide-5-carboxylato)bis(1,10-phenanthroline)nickel(II) 3.5-hydrate |
title_sort | (3-acetyl-4-methyl-1h-pyrazol-1-ide-5-carboxylato)bis(1,10-phenanthroline)nickel(ii) 3.5-hydrate |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3772441/ https://www.ncbi.nlm.nih.gov/pubmed/24046584 http://dx.doi.org/10.1107/S1600536813017194 |
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