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Crystal structure and Hirshfeld surface analysis of (E)-1-(3,5-di-chloro-2-hy-droxy-phen-yl)-3-(5-methyl-furan-2-yl)prop-2-en-1-one.

ABSTRACT: The title chalcone derivative, C14H10Cl2O3, is almost planar, with a dihedral angle of 7.0?(2) ° between the 3,5-di-chloro-2-hy-droxy-phenyl and 5-methyl-furan rings. There is an intra-molecular O-H?O hydrogen bond present forming an S(6) ring motif. In the crystal, mol-ecules are linked by bifurcated C-H/H?O hydrogen bonds, enclosing an R 1 2(6) ring motif, forming a 21 helix propagating along the b-axis direction. The inter-molecular inter-actions were qu-anti-fied using Hirshfeld surface analysis.

SUBMITTER: Sreenatha NR 

PROVIDER: S-EPMC6176444 | biostudies-literature | 2018 Oct

REPOSITORIES: biostudies-literature

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Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-1-(3,5-di-chloro-2-hy-droxy-phen-yl)-3-(5-methyl-furan-2-yl)prop-2-en-1-one.

Sreenatha N R NR   Lakshminarayana B N BN   Ganesha D P DP   Gnanendra C R CR  

Acta crystallographica. Section E, Crystallographic communications 20180918 Pt 10

The title chalcone derivative, C<sub>14</sub>H<sub>10</sub>Cl<sub>2</sub>O<sub>3</sub>, is almost planar, with a dihedral angle of 7.0 (2) ° between the 3,5-di-chloro-2-hy-droxy-phenyl and 5-methyl-furan rings. There is an intra-molecular O-H⋯O hydrogen bond present forming an <i>S</i>(6) ring motif. In the crystal, mol-ecules are linked by bifurcated C-H/H⋯O hydrogen bonds, enclosing an <i>R</i> <sub>1</sub> <sup>2</sup>(6) ring motif, forming a 2<sub>1</sub> helix propagating along the <i>b</i  ...[more]

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