(E)-Methyl 2-[(4-bromo-2-formyl-phen-oxy)meth-yl]-3-phenyl-acrylate

Area of Science:

• Organic Chemistry
• Crystallography

Background:

• Understanding the three-dimensional structure of organic compounds is crucial for predicting their reactivity and properties.
• Crystal structure analysis provides detailed insights into molecular arrangement and intermolecular interactions.

Purpose of the Study:

• To determine the precise crystal structure of the title compound, C(18)H(15)BrO(4).
• To investigate the stereochemistry of the double bond and the spatial arrangement of the molecule.
• To identify and characterize hydrogen bonding interactions within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to collect diffraction data.
• The crystal structure was solved and refined using standard crystallographic software.
• Analysis of bond lengths, bond angles, and torsion angles provided structural details.

Main Results:

• The C=C double bond in C(18)H(15)BrO(4) was confirmed to have an E configuration.
• The two ring systems within the molecule exhibit a dihedral angle of 82.8(1)°, indicating near-orthogonality.
• An intramolecular C-H⋯O hydrogen bond was identified.
• The crystal packing is stabilized by intermolecular C-H⋯O hydrogen bonds.

Conclusions:

• The study successfully elucidated the crystal structure of C(18)H(15)BrO(4).
• The observed molecular geometry and hydrogen bonding patterns provide valuable information for structure-property relationship studies.
• The findings contribute to the understanding of intermolecular forces in organic crystalline solids.