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Ethyl 3'-(2,4-dichloro-phen-yl)-5'-hydr-oxy-5'-methyl-4',5'-dihydro-spiro-[fluorene-9,2'(3'H)-furan]-4'-carboxyl-ate.

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Summary

This study details the molecular structure of a specific organic compound, C(26)H(22)Cl(2)O(4). It highlights the compound

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Area of Science:

Organic Chemistry
Crystallography
Supramolecular Chemistry

Background:

Understanding the conformational preferences and intermolecular interactions of organic molecules is crucial in chemistry.
The title compound, C(26)H(22)Cl(2)O(4), possesses a unique structure involving furan and fluorene units.

Purpose of the Study:

To elucidate the three-dimensional structure and conformational behavior of the title compound.
To investigate the intermolecular interactions, specifically hydrogen bonding, that govern crystal packing.
To identify and characterize any intramolecular contacts present within the molecule.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
Conformational analysis was performed on the furan and fluorene ring systems.
Analysis of intermolecular and intramolecular contacts, including C-H···O and C-H···Cl interactions.

Main Results:

The furan ring and the five-membered fluorene unit adopt envelope conformations.
Centrosymmetric hydrogen-bonded dimers are formed through intermolecular C-H···O interactions, featuring R(2)(2)(16) and R(2)(2)(8) ring motifs.
A short intramolecular C-H···Cl contact was identified within the molecule.

Conclusions:

The study provides a detailed structural characterization of C(26)H(22)Cl(2)O(4).
Intermolecular C-H···O interactions play a significant role in the self-assembly of the compound into dimers.
The presence of both intermolecular and intramolecular contacts influences the overall molecular arrangement and stability.