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Published on: December 4, 2016
4,4'-(Propane-1,3-di-yl)dibenzoic acid.
1State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, College of Chemistry, Jilin University, Changchun 130012, People's Republic of China.
The crystal structure of C(17)H(16)O(4) reveals twofold symmetry and a significant dihedral angle between benzene rings. Molecules form one-dimensional chains through hydrogen bonding between carboxyl groups.
Area of Science:
- Crystallography
- Supramolecular Chemistry
- Organic Chemistry
Background:
- Understanding molecular arrangements in the solid state is crucial for predicting material properties.
- Hydrogen bonding plays a key role in the self-assembly of organic molecules.
- Dihedral angles significantly influence molecular conformation and packing.
Purpose of the Study:
- To elucidate the crystal structure of the title compound C(17)H(16)O(4).
- To investigate the intermolecular interactions governing the solid-state assembly.
- To characterize the supramolecular architecture formed in the crystal.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular structure.
- Analysis of crystallographic data revealed the presence of twofold symmetry.
- Hydrogen bonding interactions were identified and analyzed.
Main Results:
- The title compound C(17)H(16)O(4) crystallizes with a crystallographic twofold symmetry axis.
- A dihedral angle of 81.9(2)° was measured between the benzene rings.
- Molecules self-assemble into one-dimensional supramolecular chains via O-H⋯O hydrogen bonds between carboxyl groups.
Conclusions:
- The crystal structure of C(17)H(16)O(4) is characterized by specific symmetry and a notable dihedral angle.
- Intermolecular hydrogen bonding dictates the formation of extended supramolecular chains.
- This structural information provides insights into the solid-state behavior of this organic compound.
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