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4-[(1E)-3-(2,6-Dichloro-3-fluoro-phen-yl)-3-oxoprop-1-en-1-yl]benzonitrile.

ABSTRACT: In the title mol-ecule, C(16)H(8)Cl(2)FNO, the benzene rings form a dihedral angle of 78.69?(8)°. The F atom is disordered over two positions in a 0.530?(3):0.470?(3) ratio. The crystal packing exhibits ?-? inter-actions between dichloro-substituted rings [centroid-centroid distance = 3.6671?(10)?Å] and weak inter-molecular C-H?F contacts.

SUBMITTER: Praveen AS

PROVIDER: S-EPMC3344538 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

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4-[(1E)-3-(2,6-Dichloro-3-fluoro-phen-yl)-3-oxoprop-1-en-1-yl]benzonitrile.

Praveen Aletti S AS Yathirajan Hemmige S HS Narayana Badiadka B Gerber Thomas T Hosten Eric E Betz Richard R

Acta crystallographica. Section E, Structure reports online 20120418 Pt 5

In the title mol-ecule, C(16)H(8)Cl(2)FNO, the benzene rings form a dihedral angle of 78.69 (8)°. The F atom is disordered over two positions in a 0.530 (3):0.470 (3) ratio. The crystal packing exhibits π-π inter-actions between dichloro-substituted rings [centroid-centroid distance = 3.6671 (10) Å] and weak inter-molecular C-H⋯F contacts. ...[more]

PMID: 22590300

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