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Using cocrystals as a tool to study non-crystallizing molecules: crystal structure, Hirshfeld surface analysis and computational study of the 1:1 cocrystal of (E)-N-(3,4-difluorophenyl)-1-(pyridin-4-yl)methanimine and acetic acid.
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ABSTRACT:
SUBMITTER: Sanchez-Pacheco AD
PROVIDER: S-EPMC11299205 | biostudies-literature | 2024 Aug
REPOSITORIES: biostudies-literature
Publications
Using cocrystals as a tool to study non-crystallizing molecules: crystal structure, Hirshfeld surface analysis and computational study of the 1:1 cocrystal of (E)-N-(3,4-difluorophenyl)-1-(pyridin-4-yl)methanimine and acetic acid.
Acta crystallographica. Section C, Structural chemistry 20240705 Pt 8
Using a 1:1 cocrystal of (E)-N-(3,4-difluorophenyl)-1-(pyridin-4-yl)methanimine with acetic acid, C<sub>12</sub>H<sub>8</sub>F<sub>2</sub>N<sub>2</sub>·C<sub>2</sub>H<sub>4</sub>O<sub>2</sub>, we investigate the influence of F atoms introduced to the aromatic ring on promoting π-π interactions. The cocrystal crystallizes in the triclinic space group P1. Through crystallographic analysis and computational studies, we reveal the molecular arrangement within this cocrystal, demonstrating the presen ...[more]