Dimethyl 4,4-diacetyl-hepta-nedioate.

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Symmetry

Background:

• Dicarbonyl compounds are versatile organic molecules with diverse applications.
• Understanding molecular symmetry and intermolecular interactions is crucial for predicting material properties.

Purpose of the Study:

• To elucidate the crystal structure of the dicarbonyl compound C(13)H(20)O(6).
• To analyze the molecular symmetry and intermolecular bonding within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of intermolecular interactions, specifically C-H⋯O hydrogen bonds, was performed.

Main Results:

• The dicarbonyl compound C(13)H(20)O(6) crystallizes with approximate local twofold symmetry.
• Intermolecular C-H⋯O hydrogen bonds were identified as the primary driving force for crystal packing.
• These interactions lead to the formation of a one-dimensional chain structure in the solid state.

Conclusions:

• The crystal structure of C(13)H(20)O(6) reveals a unique chain assembly driven by specific hydrogen bonding.
• The findings contribute to the understanding of structure-property relationships in dicarbonyl compounds.