Polymorphism and the Phenomenon of Whole-Molecule Disorder Revealed in a Novel Dipodal Thiopyridine Ligand DOI Creative Commons
Simran Chaudhary, Renny Maria Losus,

Liliana Dobrzańska

et al.

Crystals, Journal Year: 2025, Volume and Issue: 15(4), P. 289 - 289

Published: March 22, 2025

We report two polymorphs (α and β) of a novel bipodal ligand, 1,4-bis(thiopyridine)benzene, which were isolated from the same methanolic solution. Single-crystal X-ray analyses revealed phenomenon positional whole-molecule disorder occurring in form α, comes down to packing disorder. Computational calculations carried out compare crystal lattice energies polymorphs. The energetically more stable β has higher efficiency shows an increased number hydrogen bonds compared with both components is dominated by van der Waals interactions. Supportive bulk studies, such as thermal analysis powder diffraction, also performed.

Language: Английский

Polymorphism and the Phenomenon of Whole-Molecule Disorder Revealed in a Novel Dipodal Thiopyridine Ligand DOI Creative Commons
Simran Chaudhary, Renny Maria Losus,

Liliana Dobrzańska

et al.

Crystals, Journal Year: 2025, Volume and Issue: 15(4), P. 289 - 289

Published: March 22, 2025

We report two polymorphs (α and β) of a novel bipodal ligand, 1,4-bis(thiopyridine)benzene, which were isolated from the same methanolic solution. Single-crystal X-ray analyses revealed phenomenon positional whole-molecule disorder occurring in form α, comes down to packing disorder. Computational calculations carried out compare crystal lattice energies polymorphs. The energetically more stable β has higher efficiency shows an increased number hydrogen bonds compared with both components is dominated by van der Waals interactions. Supportive bulk studies, such as thermal analysis powder diffraction, also performed.

Language: Английский

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