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4,4'-[p-Phenyl-enebis(-oxy)]dibutanoic acid
1Department of Chemistry, School of Science, Beijing Jiaotong University, No. 3 Shang Yuan Cun Road, HaiDian District 100044, People's Republic of China.
This study details the crystal structure of a C(14)H(18)O(6) compound, revealing its molecular conformation and hydrogen bonding. Molecules form zigzag chains through carboxylic acid interactions, creating a layered network.
Area of Science:
- Crystallography
- Organic Chemistry
- Supramolecular Chemistry
Background:
- Understanding molecular structure and intermolecular forces is crucial in chemistry.
- Crystal engineering utilizes non-covalent interactions to design materials with specific properties.
Purpose of the Study:
- To elucidate the crystal structure and intermolecular interactions of the title compound C(14)H(18)O(6).
- To analyze the role of hydrogen bonding and C-H···π interactions in the crystal packing.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, and non-covalent interactions (hydrogen bonds, C-H···π) was performed.
Main Results:
- The molecule C(14)H(18)O(6) possesses a center of inversion on the benzene ring centroid.
- The side chain adopts an anti conformation (C-C-C-C = -171.40°).
- Carboxylic acid groups form head-to-head hydrogen bonds, creating infinite zigzag chains along [130].
- Weak C-H···π interactions contribute to a layered network structure in the ac plane.
Conclusions:
- The crystal structure is stabilized by a combination of strong O-H···O hydrogen bonds and weaker C-H···π interactions.
- The observed packing arrangement results in a layered network structure, offering insights into crystal design principles.
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