Methyl eucomate.

Area of Science:

• Crystallography
• Molecular structure
• Organic chemistry

Background:

• Understanding intermolecular forces is crucial for predicting material properties.
• Hydrogen bonds play a significant role in stabilizing crystal lattices.
• The specific compound methyl 3-carboxy-3-hydroxy-3-(4-hydroxy-benzyl)propanoate has not been extensively studied structurally.

Purpose of the Study:

• To determine the crystal structure of methyl 3-carboxy-3-hydroxy-3-(4-hydroxy-benzyl)propanoate.
• To identify the types and roles of intermolecular interactions in stabilizing the crystal lattice.
• To elucidate the packing arrangement of the molecules in the solid state.

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 intermolecular interactions, including hydrogen bonds, was performed.

Main Results:

• The crystal structure of methyl 3-carboxy-3-hydroxy-3-(4-hydroxy-benzyl)propanoate (C(12)H(14)O(6)) was successfully determined.
• Intermolecular O-H⋯O and C-H⋯O hydrogen bonds were identified as the primary stabilizing forces.
• Molecules are arranged in layered structures parallel to the (001) plane, interconnected by hydrogen bonds.

Conclusions:

• The crystal structure is stabilized by a network of intermolecular hydrogen bonds.
• The layered arrangement of molecules is a key feature of the crystal packing.
• This structural information provides insights into the solid-state behavior of this organic compound.