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Crystal structure of (E)-3-(2-hy-droxy-4-methyl-phen-yl)-1-(2,4,6-tri-meth-oxy-phen-yl)prop-2-en-1-one.


ABSTRACT: The title chalcone derivative, C19H20O5, adopts a trans configuration with respect to the olefinic C=C double bond. The 2-hy-droxy-4-methyl-phenyl ring is coplanar with the attached enone bridge [torsion angle = -179.96?(14)°], where this plane is nearly perpendicular to the 2,4,6-tri-meth-oxy-phenyl ring [dihedral angle = 75.81?(8)°]. In the crystal, mol-ecules are linked into chains propagating along [010] by an O-H?O hydrogen bond. These chains are further connected into centrosymmetric dimer chains via weak C-H?O inter-actions. The conformations of related chalcone derivatives are surveyed and all of these structures adopt a skeleton with two almost orthogonal aromatic rings.

SUBMITTER: Jumaah M 

PROVIDER: S-EPMC6727044 | biostudies-literature | 2019 Sep

REPOSITORIES: biostudies-literature

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Crystal structure of (<i>E</i>)-3-(2-hy-droxy-4-methyl-phen-yl)-1-(2,4,6-tri-meth-oxy-phen-yl)prop-2-en-1-one.

Jumaah Maadh M   Kwong Huey Chong HC   Khairuddean Melati M  

Acta crystallographica. Section E, Crystallographic communications 20190830 Pt 9


The title chalcone derivative, C<sub>19</sub>H<sub>20</sub>O<sub>5</sub>, adopts a <i>trans</i> configuration with respect to the olefinic C=C double bond. The 2-hy-droxy-4-methyl-phenyl ring is coplanar with the attached enone bridge [torsion angle = -179.96 (14)°], where this plane is nearly perpendicular to the 2,4,6-tri-meth-oxy-phenyl ring [dihedral angle = 75.81 (8)°]. In the crystal, mol-ecules are linked into chains propagating along [010] by an O-H⋯O hydrogen bond. These chains are furt  ...[more]

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