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Crystal structure and Hirshfeld surface analysis of (2E)-3-(3-bromo-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
In the molecule of the title compound, C(17)H(14)BrFO(3), 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 dimer...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6072984/ https://www.ncbi.nlm.nih.gov/pubmed/30116562 http://dx.doi.org/10.1107/S2056989018009416 |
Sumario: | In the molecule of the title compound, C(17)H(14)BrFO(3), 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 R (2) (2)(14) graph-set motif. The dimers are further connected by weak C—H⋯O hydrogen interactions, forming layers parallel to (10[Image: see text]). 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. |
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