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Crystal structure and Hirshfeld surface analysis of 2,2,2-tri-fluoro-1-(7-methyl-imidazo[1,2-a]pyridin-3-yl)ethan-1-one.

ABSTRACT: The bicyclic imidazo[1,2-a]pyridine core in the mol-ecule of the title compound, C₁₀H₇F₃N₂O, is planar within 0.004 (1) Å. In the crystal, the mol-ecules are linked by pairs of C-H⋯N and C-H⋯O hydrogen bonds, forming strips. These strips are connected by the F⋯F contacts into layers, which are further joined by π-π stacking inter-actions. The Hirshfeld surface analysis and fingerprint plots reveal that mol-ecular packing is governed by F⋯H/H⋯F (31.6%), H⋯H (16.8%), C⋯H/H⋯C (13.8%) and O⋯H/H⋯O (8.5%) contacts.

SUBMITTER: Guseinov FI

PROVIDER: S-EPMC8739203 | biostudies-literature | 2022 Jan

REPOSITORIES: biostudies-literature

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Crystal structure and Hirshfeld surface analysis of 2,2,2-tri-fluoro-1-(7-methyl-imidazo[1,2-a]pyridin-3-yl)ethan-1-one.

Guseinov Firudin I FI Kobrakov Konstantin I KI Ugrak Bogdan I BI Atioğlu Zeliha Z Akkurt Mehmet M Bhattarai Ajaya A

Acta crystallographica. Section E, Crystallographic communications 20220101 Pt 1

The bicyclic imidazo[1,2-a]pyridine core in the mol-ecule of the title compound, C10H7F3N2O, is planar within 0.004 (1) Å. In the crystal, the mol-ecules are linked by pairs of C-H⋯N and C-H⋯O hydrogen bonds, forming strips. These strips are connected by the F⋯F contacts into layers, which are further joined by π-π stacking inter-actions. The Hirshfeld surface analysis and fingerprint plots reveal that mol-ecular packing is governed by F⋯H/H⋯F ( ...[more]

PMID: 35079415

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