Pentyl (E)-3-(3,4-dihy-droxy-phen-yl)acrylate

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure

Background:

• Understanding molecular conformation and intermolecular interactions is crucial in chemistry.
• Crystal engineering relies on predicting and controlling the assembly of molecules in the solid state.

Purpose of the Study:

• To elucidate the detailed molecular and crystal structure of the title compound, C(14)H(18)O(4).
• To investigate the presence and nature of hydrogen bonding within the molecule and in the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction analysis was employed to determine the three-dimensional structure.
• Analysis of atomic coordinates and bond parameters provided insights into molecular geometry.

Main Results:

• The molecule C(14)H(18)O(4) exhibits an E configuration at the C=C double bond.
• The molecule is nearly planar, with a root-mean-square deviation of 0.04 Å for non-hydrogen atoms.
• An intramolecular hydrogen bond of the O-H⋯O type was identified.
• Intermolecular O-H⋯O interactions link molecules into extended ribbons along the [110] direction in the crystal.

Conclusions:

• The study provides a precise description of the molecular and crystal structure of C(14)H(18)O(4).
• The observed hydrogen bonding patterns dictate the supramolecular assembly in the solid state, forming ribbon-like structures.