Hirshfeld surface analysis of a new binuclear Co(II)-pivalate compound with isonicotinamide

The nature of intermolecular contacts in the structure of the binuclear compound with the formula [Co2(µ-H2O)(piv)4(Hpiv)(ina)2] (1) ( where: ina = iso-nicotinamide, piv = pivalate) has been studied through the Hirshfeld surface (HS) analysis and two-dimensional fingerprint plots, which are used for comparison in the construction of different supramolecular networks. Quantitative identification via the HS analysis indicates that H-bonding (particularly H⋯H) plays a predominant role in stabilizing the solid structure as a whole. Additionally, intramolecular O−H···O hydrogen bonds, intermolecular N−H···O hydrogen bonds, and the non classical H-bonding (C−H···π and π···π) have a distinct effect on the crystal packing of 1.

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Publication Details

Published
2025-01-01
DOI
https://doi.org/10.46727/c.v1.01-02-03-2025.p71-77
Primary Topic
Crystal structures of chemical compounds
Type
article
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article

Hirshfeld surface analysis of a new binuclear Co(II)-pivalate compound with isonicotinamide

Ecaterina BELEAEV
Crystal structures of chemical compounds
article

Hirshfeld surface analysis of a new binuclear Co(II)-pivalate compound with isonicotinamide

Ecaterina BELEAEV
article en

Abstract

The nature of intermolecular contacts in the structure of the binuclear compound with the formula [Co2(µ-H2O)(piv)4(Hpiv)(ina)2] (1) ( where: ina = iso-nicotinamide, piv = pivalate) has been studied through the Hirshfeld surface (HS) analysis and two-dimensional fingerprint plots, which are used for comparison in the construction of different supramolecular networks. Quantitative identification via the HS analysis indicates that H-bonding (particularly H⋯H) plays a predominant role in stabilizing the solid structure as a whole. Additionally, intramolecular O−H···O hydrogen bonds, intermolecular N−H···O hydrogen bonds, and the non classical H-bonding (C−H···π and π···π) have a distinct effect on the crystal packing of 1.

Openalex Percentile: Top 80%
Crystal structures of chemical compounds
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