Crystal and geometry-optimized structure, Hirshfeld surface analysis and physicochemical studies of a new Co(II) complex with the ligand 2-amino-6-methoxypyrimidine

Nbili, Wijdene; Soudani, Sarra; Kaabi, Kamel; Wojtaś, M.; Ferretti, Valeria; Lefèbvre, Frédéric; Jelsch, Christian; Nasr, C. Ben

doi:10.1016/j.molstruc.2017.06.009

Cited by 3 publications

(2 citation statements)

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“…The detailed geometry of the CoCl 4 anion is listed in Table 4. The Co-Cl bond distances, in the range 2.2437 (8)-2.2843 (8) Å, and the bond angles around the central atom, which vary between 108.54 (4) • and 111.02 (5) • , show, on the one hand, that these values are comparable to those observed in other similar Co(II) complexes [30,31] and, on the other hand, that the coordination geometry can be described as slightly distorted tetrahedral. This can be confirmed by the calculation of the Yang τ 4 parameter [32] which indicates the degree of distortion of the geometry of a fourcoordinated metal complex.…”

Section: Resultssupporting

confidence: 73%

Synthesis, Single Crystal Structural Investigation, Hirshfeld Surface Analysis, Thermoanalysis and Spectroscopic Study of Two New Cu(II) and Co(II) Transition-Metal Complexes

Boubakri

Szybowicz²,

Sądej

et al. 2021

Crystals

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Two new complexes, [Cu(dimpyr)2(H2O)2](NO3)2.2H2O (1) and (Hamdimpy)2[CoCl4].H2O (2), with the monodentate ligand 2-amino-6-methylpyrimidin-4-(1H)-one (dimpyr) and the countercation 4-amino-2,6-dimetylpyrimidium (Hamdimpy), respectively, were prepared and characterized by single crystal X-ray diffraction, elemental analysis and IR spectroscopy. In (1), the Cu(II) cation is tetracoordinated, in a square plan fashion, by two nitrogen atoms from the pyrimidine ring of the organic ligand and two oxygen atoms of two coordinated water molecules. In the atomic arrangement, the CuO2N2 square planes are interconnected via the formation of O-H…O hydrogen bonds involving both coordinated and free water molecules and NO3− nitrate anions to form inorganic layers parallel to the (a, b) plane at z = (2n + 1)/4. In (2), the central atom Co(II) is four-coordinated in a distorted tetrahedral fashion by four Cl− ions. The [CoCl4]2− tetrahedra are arranged parallel to the plane (1¯10) at x = (2n + 1)/2 and the organic cations are grafted between them by establishing with them hydrogen bonds of CH…Cl and NH…Cl types. The vibrational absorption bands were identified by infrared and Raman spectroscopy. Intermolecular interactions were investigated via Hirshfeld surfaces and electronic properties such as HOMO and LUMO energies were derived. The two compounds were characterized by thermal analysis to determine their thermal behavior with respect to temperature.

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Section: Resultssupporting

confidence: 73%

Synthesis, Single Crystal Structural Investigation, Hirshfeld Surface Analysis, Thermoanalysis and Spectroscopic Study of Two New Cu(II) and Co(II) Transition-Metal Complexes

Boubakri

Szybowicz²,

Sądej

et al. 2021

Crystals

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“…13a. The assignments of the observed bands are based on comparisons with data previously reported for similar materials [43][44][45]. The bands in the high-wavenumber region, between 3500 and 3200 cm −1 , correspond to the stretching vibrations of the N-H and O-H groups interconnected by a system of hydrogen bonds in the crystal [44].…”

Section: Ir Spectroscopymentioning

confidence: 79%

A new 1D Zn(II) coordination polymer containing 2-amino-4,6-dimethoxypyrimidine ligand: crystal structure, Hirshfeld surface analysis, and physicochemical studies

Boubakri

Jelsch²,

Lucas

et al. 2020

Journal of Molecular Structure

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HAL is a multi-disciplinary open access archive for the deposit and dissemination of scientific research documents, whether they are published or not. The documents may come from teaching and research institutions in France or abroad, or from public or private research centers. L'archive ouverte pluridisciplinaire HAL, est destinée au dépôt et à la diffusion de documents scientifiques de niveau recherche, publiés ou non, émanant des établissements d'enseignement et de recherche français ou étrangers, des laboratoires publics ou privés.

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Mesoporous, high surface area and microrod-shaped cobalt (II) coordination polymer for assessment of molecular structure, thermolysis and non-isothermal kinetics parameters

Bagade,

Khan,

Malik

et al. 2025

Journal of Molecular Structure

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Crystal and geometry-optimized structure, Hirshfeld surface analysis and physicochemical studies of a new Co(II) complex with the ligand 2-amino-6-methoxypyrimidine

Cited by 3 publications

References 35 publications

Synthesis, Single Crystal Structural Investigation, Hirshfeld Surface Analysis, Thermoanalysis and Spectroscopic Study of Two New Cu(II) and Co(II) Transition-Metal Complexes

Synthesis, Single Crystal Structural Investigation, Hirshfeld Surface Analysis, Thermoanalysis and Spectroscopic Study of Two New Cu(II) and Co(II) Transition-Metal Complexes

A new 1D Zn(II) coordination polymer containing 2-amino-4,6-dimethoxypyrimidine ligand: crystal structure, Hirshfeld surface analysis, and physicochemical studies

Mesoporous, high surface area and microrod-shaped cobalt (II) coordination polymer for assessment of molecular structure, thermolysis and non-isothermal kinetics parameters

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