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Home / Acta Crystallographica Section E: Crystallographic Communications, Volume 74, Number 8

Open Access Crystal structure and Hirshfeld surface analysis of (2E)-3-(3-bromo-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one

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In the molecule of the title compound, C17H14BrFO3, the aromatic rings are tilted with respect to the enone bridge by 13.63 (14) and 4.27 (15)°, and form a dihedral angle 17.91 (17)°. In the crystal, centrosymmetrically related molecules are linked by pairs of C—H...O hydrogen bonds into dimeric units, forming rings of R22(14) graph-set motif. The dimers are further connected by weak C—H...O hydrogen interactions, forming layers parallel to (10overline{1}). Hirshfeld surface analysis shows that van der Waals interactions constitute the major contribution to the intermolecular interactions, with H...H contacts accounting for 29.7% of the surface.

Document Type: Research Article

Affiliations: 1: Department of Chemistry, GSSS Institute of Engineering & Technology for Women, Mysuru 570 016, Karnataka, India 2: İlke Education and Health Foundation, Cappadocia University, Cappadocia Vocational College, The Medical Imaging Techniques Program, 50420 Mustafapaşa, Ürgüp, Nevşehir, Turkey 3: Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey 4: Department of Chemistry, Sri Siddhartha Institute of Technology, Tumkur 572 105, Karnataka, India 5: X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia 6: Department of Engineering Chemistry, Vidya Vikas Institute of Engineering & Technology, Visvesvaraya Technological University, Alanahalli, Mysuru 570 028, Karnataka, India 7: Department of Chemistry, Cauvery Institute of Technology, Mandya 571 402, Karnataka, India

Publication date: 01 January 2018

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