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(C20H15N4O)2]·2.5CH3OH, I, was synthesized via the reaction of zinc acetate with the respective ligand and isolated as a methanol solvate, i.e., as I·2.5CH3OH. The crystal structure is triclinic (space group P1), 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. © Burlov et al. 2017.

Авторы
Burlov A.S.1 , Vlasenko V.G.2 , Dorovatovskii P.V.3 , Zubavichus Y.V.3 , Khrustalev V.N. 4
Издательство
International Union of Crystallography
Язык
Английский
Страницы
1208-1212
Статус
Опубликовано
Том
73
Год
2017
Организации
  • 1 Institute of Physical and Organic Chemistry, Southern Federal University, 194/2 Stachki Ave., Rostov-on-Don, 344090, Russian Federation
  • 2 Institute of Physics, Southern Federal University, 194 Stachki Ave., Rostov-on-Don, 344090, Russian Federation
  • 3 National Research Centre 'Kurchatov Institute', 1 Acad. Kurchatov Sq., Moscow, 123182, Russian Federation
  • 4 Inorganic Chemistry Department, Peoples' Friendship University of Russia (RUDN University), 6 Miklukho-Maklay St., Moscow, 117198, Russian Federation
Ключевые слова
crystal structure; pyrazole-quinoline; Schiff base ligands; synchrotron radiation; zinc complex
Дата создания
19.10.2018
Дата изменения
19.10.2018
Постоянная ссылка
https://repository.rudn.ru/ru/records/article/record/6026/
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