8-Iodo-5,7-dimeth-oxy-4-methyl-2H-chromen-2-one

Area of Science:

• Crystallography
• Organic Chemistry
• Solid-State Chemistry

Background:

• Understanding the precise arrangement of atoms in organic molecules is crucial for predicting their properties.
• The study of intermolecular forces and crystal packing influences material characteristics.

Purpose of the Study:

• To elucidate the crystal structure of the organic compound C(12)H(11)IO(4).
• To analyze the spatial orientation of methoxy groups relative to the benzene ring.
• To identify and characterize intermolecular interactions within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of atomic coordinates and bond distances to assess planarity and intermolecular contacts.

Main Results:

• The crystal structure of C(12)H(11)IO(4) was determined, revealing near-planar methoxy groups.
• Deviations from the benzene ring's mean plane for methoxy group atoms were quantified (e.g., O and C atoms at ~0.012-0.078 Å).
• Weak intermolecular C-H⋯O hydrogen bonds and O⋯I contacts (3.080 Å) were observed, leading to a layered structure.

Conclusions:

• The methoxy groups in C(12)H(11)IO(4) exhibit a high degree of planarity with the benzene ring.
• The crystal packing is characterized by weak hydrogen bonds and O⋯I contacts, forming a layered arrangement.