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Crystal structure of bis­{1-phenyl-3-methyl-4-[(quinolin-3-yl)imino­methyl-κN]-1H-pyrazol-5-olato-κO}zinc methanol 2.5-solvate from synchrotron X-ray diffraction

The title compound, [Zn(C(20)H(15)N(4)O)(2)]·2.5CH(3)OH, I, was synthesized via the reaction of zinc acetate with the respective ligand and isolated as a methanol solvate, i.e., as I·2.5CH(3)OH. The crystal structure is triclinic (space group P-1), with two complex mol­ecules (A and B) and five meth...

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Autores principales: Burlov, Anatoliy S., Vlasenko, Valery G., Dorovatovskii, Pavel V., Zubavichus, Yan V., Khrustalev, Victor N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5598850/
https://www.ncbi.nlm.nih.gov/pubmed/28932438
http://dx.doi.org/10.1107/S2056989017010441
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author Burlov, Anatoliy S.
Vlasenko, Valery G.
Dorovatovskii, Pavel V.
Zubavichus, Yan V.
Khrustalev, Victor N.
author_facet Burlov, Anatoliy S.
Vlasenko, Valery G.
Dorovatovskii, Pavel V.
Zubavichus, Yan V.
Khrustalev, Victor N.
author_sort Burlov, Anatoliy S.
collection PubMed
description The title compound, [Zn(C(20)H(15)N(4)O)(2)]·2.5CH(3)OH, I, was synthesized via the reaction of zinc acetate with the respective ligand and isolated as a methanol solvate, i.e., as I·2.5CH(3)OH. The crystal structure is triclinic (space group P-1), with two complex mol­ecules (A and B) and five methanol solvent mol­ecules in the asymmetric unit. One of the five methanol solvent mol­ecules is disordered over two sets of sites, with an occupancy ratio of 0.75:0.25. Mol­ecules A and B are conformers and distinguished by the conformations of the bidentate 1-phenyl-3-methyl-4-[(quinolin-3-yl)imino­meth­yl]-1H-pyrazol-5-olate ligands. In both mol­ecules, the zinc cations have distorted tetra­hedral coordination spheres, binding the monoanionic ligands through the pyrazolo­late O and imine N atoms. The two ligands adopt slightly different conformations in terms of the orientation of the terminal phenyl and quinoline substituents with respect to the central pyrazolo­late moiety. The mol­ecular geometries of A and B are supported by intra­molecular C—H⋯O and C—H⋯N hydrogen bonds. In the crystal of I, mol­ecules form dimers both by secondary inter­molecular Zn⋯O [3.140 (2)–3.553 (3) Å] and π–π stacking inter­actions. The dimers are linked by inter­molecular hydrogen bonds through the solvent methanol mol­ecules into a three-dimensional network.
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spelling pubmed-55988502017-09-20 Crystal structure of bis­{1-phenyl-3-methyl-4-[(quinolin-3-yl)imino­methyl-κN]-1H-pyrazol-5-olato-κO}zinc methanol 2.5-solvate from synchrotron X-ray diffraction Burlov, Anatoliy S. Vlasenko, Valery G. Dorovatovskii, Pavel V. Zubavichus, Yan V. Khrustalev, Victor N. Acta Crystallogr E Crystallogr Commun Research Communications The title compound, [Zn(C(20)H(15)N(4)O)(2)]·2.5CH(3)OH, I, was synthesized via the reaction of zinc acetate with the respective ligand and isolated as a methanol solvate, i.e., as I·2.5CH(3)OH. The crystal structure is triclinic (space group P-1), with two complex mol­ecules (A and B) and five methanol solvent mol­ecules in the asymmetric unit. One of the five methanol solvent mol­ecules is disordered over two sets of sites, with an occupancy ratio of 0.75:0.25. Mol­ecules A and B are conformers and distinguished by the conformations of the bidentate 1-phenyl-3-methyl-4-[(quinolin-3-yl)imino­meth­yl]-1H-pyrazol-5-olate ligands. In both mol­ecules, the zinc cations have distorted tetra­hedral coordination spheres, binding the monoanionic ligands through the pyrazolo­late O and imine N atoms. The two ligands adopt slightly different conformations in terms of the orientation of the terminal phenyl and quinoline substituents with respect to the central pyrazolo­late moiety. The mol­ecular geometries of A and B are supported by intra­molecular C—H⋯O and C—H⋯N hydrogen bonds. In the crystal of I, mol­ecules form dimers both by secondary inter­molecular Zn⋯O [3.140 (2)–3.553 (3) Å] and π–π stacking inter­actions. The dimers are linked by inter­molecular hydrogen bonds through the solvent methanol mol­ecules into a three-dimensional network. International Union of Crystallography 2017-07-18 /pmc/articles/PMC5598850/ /pubmed/28932438 http://dx.doi.org/10.1107/S2056989017010441 Text en © Burlov et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ 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/2.0/uk/
spellingShingle Research Communications
Burlov, Anatoliy S.
Vlasenko, Valery G.
Dorovatovskii, Pavel V.
Zubavichus, Yan V.
Khrustalev, Victor N.
Crystal structure of bis­{1-phenyl-3-methyl-4-[(quinolin-3-yl)imino­methyl-κN]-1H-pyrazol-5-olato-κO}zinc methanol 2.5-solvate from synchrotron X-ray diffraction
title Crystal structure of bis­{1-phenyl-3-methyl-4-[(quinolin-3-yl)imino­methyl-κN]-1H-pyrazol-5-olato-κO}zinc methanol 2.5-solvate from synchrotron X-ray diffraction
title_full Crystal structure of bis­{1-phenyl-3-methyl-4-[(quinolin-3-yl)imino­methyl-κN]-1H-pyrazol-5-olato-κO}zinc methanol 2.5-solvate from synchrotron X-ray diffraction
title_fullStr Crystal structure of bis­{1-phenyl-3-methyl-4-[(quinolin-3-yl)imino­methyl-κN]-1H-pyrazol-5-olato-κO}zinc methanol 2.5-solvate from synchrotron X-ray diffraction
title_full_unstemmed Crystal structure of bis­{1-phenyl-3-methyl-4-[(quinolin-3-yl)imino­methyl-κN]-1H-pyrazol-5-olato-κO}zinc methanol 2.5-solvate from synchrotron X-ray diffraction
title_short Crystal structure of bis­{1-phenyl-3-methyl-4-[(quinolin-3-yl)imino­methyl-κN]-1H-pyrazol-5-olato-κO}zinc methanol 2.5-solvate from synchrotron X-ray diffraction
title_sort crystal structure of bis­{1-phenyl-3-methyl-4-[(quinolin-3-yl)imino­methyl-κn]-1h-pyrazol-5-olato-κo}zinc methanol 2.5-solvate from synchrotron x-ray diffraction
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5598850/
https://www.ncbi.nlm.nih.gov/pubmed/28932438
http://dx.doi.org/10.1107/S2056989017010441
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