3-(2,4-Dichloro-benzyl-idene)-1,5-dioxa-spiro-[5.5]undecane-2,4-dione.

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure Analysis

Background:

• Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
• Crystal packing and intermolecular interactions significantly influence the solid-state behavior of chemical compounds.

Purpose of the Study:

• To elucidate the crystal structure and molecular conformation of the title compound, C(16)H(14)Cl(2)O(4).
• To investigate the intermolecular interactions present in the crystalline state.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of the crystal structure to identify and characterize hydrogen bonding networks.

Main Results:

• The 1,3-dioxane ring adopts a distorted boat conformation.
• The cyclohexane ring exhibits a distorted chair conformation.
• A pair of weak intermolecular C-H⋯O hydrogen bonds were observed, linking molecules into an inversion dimer.

Conclusions:

• The study provides detailed insights into the conformational preferences of the specific organic molecule in the solid state.
• The identified intermolecular hydrogen bonding highlights a common motif in crystal engineering and supramolecular chemistry.