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(E)-1-(Anthracen-9-yl)-3-(2-chloro-6-fluoro-phen-yl)prop-2-en-1-one: crystal structure and Hirshfeld surface analysis.

ABSTRACT: In the title compound, C23H14ClFO, the enone moiety adopts an E conformation. The dihedral angle between the benzene and anthracene ring is 63.42?(8)° and an intra-molecular C-H?F hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are arranged into centrosymmetric dimers via pairs of C-H?F hydrogen bonds. The crystal structure also features C-H?? and ?-? inter-actions. Hirshfeld surface analysis was used to confirm the existence of inter-molecular inter-actions.

SUBMITTER: Abdullah AA

PROVIDER: S-EPMC4908534 | biostudies-literature | 2016 May

REPOSITORIES: biostudies-literature

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(E)-1-(Anthracen-9-yl)-3-(2-chloro-6-fluoro-phen-yl)prop-2-en-1-one: crystal structure and Hirshfeld surface analysis.

Abdullah Amzar Ahlami AA Hassan Nur Hafiq Hanif NH Arshad Suhana S Khalib Nuridayanti Che NC Razak Ibrahim Abdul IA

Acta crystallographica. Section E, Crystallographic communications 20160408 Pt 5

In the title compound, C23H14ClFO, the enone moiety adopts an E conformation. The dihedral angle between the benzene and anthracene ring is 63.42 (8)° and an intra-molecular C-H⋯F hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are arranged into centrosymmetric dimers via pairs of C-H⋯F hydrogen bonds. The crystal structure also features C-H⋯π and π-π inter-actions. Hirshfeld surface analysis was used to confirm the existence of inter-molecular inter-actions. ...[more]

PMID: 27308010

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