SYNTHESIS, X-RAY CRYSTAL STRUCTURE, SPECTROSCOPIC CHARACTERIZATION AND HIRSHFELD SURFACE ANALYSIS OF DICHLORO-BIS(3,5-DIMETHYL-4-AMINO-1H-PYRAZOLE) COBALT(II)

SYNTHESIS, X-RAY CRYSTAL STRUCTURE, SPECTROSCOPIC CHARACTERIZATION AND HIRSHFELD SURFACE ANALYSIS OF DICHLORO-BIS(3,5-DIMETHYL-4-AMINO-1H-PYRAZOLE) COBALT(II)

The synthesis and characterization of mononuclear Co(II) complex based on 3,5-dimethyl-4-amino-1H-pyrazole are reported. IR and UV/Vis spectroscopy characterization of the complex are described. The synthesis, results of IR, NMR spectroscopy and elemental analysis of 3,5-dimethyl-4-amino-1H-pyrazole...

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Бібліографічні деталі
Дата:2022
Автори: Davydenko , Yuliya, Pavlenko, Vadim, Fritsky, Igor, Vynohradov , Oleksandr
Формат: Стаття
Мова:English
Опубліковано: V.I.Vernadsky Institute of General and Inorganic Chemistry 2022
Онлайн доступ:https://ucj.org.ua/index.php/journal/article/view/460
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Назва журналу:Ukrainian Chemistry Journal

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Ukrainian Chemistry Journal
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spelling oai:ojs2.1444248.nisspano.web.hosting-test.net:article-4602022-09-07T13:21:52Z SYNTHESIS, X-RAY CRYSTAL STRUCTURE, SPECTROSCOPIC CHARACTERIZATION AND HIRSHFELD SURFACE ANALYSIS OF DICHLORO-BIS(3,5-DIMETHYL-4-AMINO-1H-PYRAZOLE) COBALT(II) Davydenko , Yuliya Pavlenko, Vadim Fritsky, Igor Vynohradov , Oleksandr pyrazole, cobalt complexes, crystal structure, X-ray crystallography, Hirshfeld surface analysis. The synthesis and characterization of mononuclear Co(II) complex based on 3,5-dimethyl-4-amino-1H-pyrazole are reported. IR and UV/Vis spectroscopy characterization of the complex are described. The synthesis, results of IR, NMR spectroscopy and elemental analysis of 3,5-dimethyl-4-amino-1H-pyrazole are also reported. X-ray analysis of [Co(C5H9N3)2Cl2] complex reveals that the cobalt atom has a tetrahedral coordination environment formed by two nitrogen atoms belonging to the two 3,5-dimethyl-4-amino-1H-pyrazole ligands [Co1–N1 = 2.005(3) and Co1–N5 = 2.006(3)Å] and two chlorine atoms [Co1–Cl2 = 2.2400(11) and Co1–Cl1 2.2863(12) Å]. In the crystal structure the molecules are linked through intermolecular (N–H···N, N–H···Cl) and intramolecular non-classical (С–H···Cl) hydrogen bonds. Hirshfeld surface analysis of the intermolecular contacts reveals that the most important contributions for the crystal packing are from H···H (47.1%) and H···Cl/Cl···H (28.5%) contacts. V.I.Vernadsky Institute of General and Inorganic Chemistry 2022-07-27 Article Article Inorganic Chemistry Неорганическая химия Неорганічна хімія application/pdf https://ucj.org.ua/index.php/journal/article/view/460 10.33609/2708-129X.88.06.2022.127-136 Ukrainian Chemistry Journal; Vol. 88 No. 6 (2022): Ukrainian Chemistry Journal; 127-136 Украинский химический журнал; Том 88 № 6 (2022): Ukrainian Chemistry Journal; 127-136 Український хімічний журнал; Том 88 № 6 (2022): Український хімічний журнал; 127-136 2708-129X 2708-1281 en https://ucj.org.ua/index.php/journal/article/view/460/236
institution Ukrainian Chemistry Journal
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datestamp_date 2022-09-07T13:21:52Z
collection OJS
language English
topic_facet pyrazole
cobalt complexes
crystal structure
X-ray crystallography
Hirshfeld surface analysis.
format Article
author Davydenko , Yuliya
Pavlenko, Vadim
Fritsky, Igor
Vynohradov , Oleksandr
spellingShingle Davydenko , Yuliya
Pavlenko, Vadim
Fritsky, Igor
Vynohradov , Oleksandr
SYNTHESIS, X-RAY CRYSTAL STRUCTURE, SPECTROSCOPIC CHARACTERIZATION AND HIRSHFELD SURFACE ANALYSIS OF DICHLORO-BIS(3,5-DIMETHYL-4-AMINO-1H-PYRAZOLE) COBALT(II)
author_facet Davydenko , Yuliya
Pavlenko, Vadim
Fritsky, Igor
Vynohradov , Oleksandr
author_sort Davydenko , Yuliya
title SYNTHESIS, X-RAY CRYSTAL STRUCTURE, SPECTROSCOPIC CHARACTERIZATION AND HIRSHFELD SURFACE ANALYSIS OF DICHLORO-BIS(3,5-DIMETHYL-4-AMINO-1H-PYRAZOLE) COBALT(II)
title_short SYNTHESIS, X-RAY CRYSTAL STRUCTURE, SPECTROSCOPIC CHARACTERIZATION AND HIRSHFELD SURFACE ANALYSIS OF DICHLORO-BIS(3,5-DIMETHYL-4-AMINO-1H-PYRAZOLE) COBALT(II)
title_full SYNTHESIS, X-RAY CRYSTAL STRUCTURE, SPECTROSCOPIC CHARACTERIZATION AND HIRSHFELD SURFACE ANALYSIS OF DICHLORO-BIS(3,5-DIMETHYL-4-AMINO-1H-PYRAZOLE) COBALT(II)
title_fullStr SYNTHESIS, X-RAY CRYSTAL STRUCTURE, SPECTROSCOPIC CHARACTERIZATION AND HIRSHFELD SURFACE ANALYSIS OF DICHLORO-BIS(3,5-DIMETHYL-4-AMINO-1H-PYRAZOLE) COBALT(II)
title_full_unstemmed SYNTHESIS, X-RAY CRYSTAL STRUCTURE, SPECTROSCOPIC CHARACTERIZATION AND HIRSHFELD SURFACE ANALYSIS OF DICHLORO-BIS(3,5-DIMETHYL-4-AMINO-1H-PYRAZOLE) COBALT(II)
title_sort synthesis, x-ray crystal structure, spectroscopic characterization and hirshfeld surface analysis of dichloro-bis(3,5-dimethyl-4-amino-1h-pyrazole) cobalt(ii)
description The synthesis and characterization of mononuclear Co(II) complex based on 3,5-dimethyl-4-amino-1H-pyrazole are reported. IR and UV/Vis spectroscopy characterization of the complex are described. The synthesis, results of IR, NMR spectroscopy and elemental analysis of 3,5-dimethyl-4-amino-1H-pyrazole are also reported. X-ray analysis of [Co(C5H9N3)2Cl2] complex reveals that the cobalt atom has a tetrahedral coordination environment formed by two nitrogen atoms belonging to the two 3,5-dimethyl-4-amino-1H-pyrazole ligands [Co1–N1 = 2.005(3) and Co1–N5 = 2.006(3)Å] and two chlorine atoms [Co1–Cl2 = 2.2400(11) and Co1–Cl1 2.2863(12) Å]. In the crystal structure the molecules are linked through intermolecular (N–H···N, N–H···Cl) and intramolecular non-classical (С–H···Cl) hydrogen bonds. Hirshfeld surface analysis of the intermolecular contacts reveals that the most important contributions for the crystal packing are from H···H (47.1%) and H···Cl/Cl···H (28.5%) contacts.
publisher V.I.Vernadsky Institute of General and Inorganic Chemistry
publishDate 2022
url https://ucj.org.ua/index.php/journal/article/view/460
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AT fritskyigor synthesisxraycrystalstructurespectroscopiccharacterizationandhirshfeldsurfaceanalysisofdichlorobis35dimethyl4amino1hpyrazolecobaltii
AT vynohradovoleksandr synthesisxraycrystalstructurespectroscopiccharacterizationandhirshfeldsurfaceanalysisofdichlorobis35dimethyl4amino1hpyrazolecobaltii
first_indexed 2025-09-24T17:43:45Z
last_indexed 2025-09-24T17:43:45Z
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