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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...

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Autores principales: Malinkin, Sergey, Kapshuk, Anatoliy A., Gumienna-Kontecka, Elzbieta, Prisyazhnaya, Elena V., Iskenderov, Turganbay S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
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.
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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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