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meso-Dimethyl 2,5-dibromo-hexa-ne-dioate
Zhi-Qiang Feng1, Yuan-Feng Ye, Xiao-Li Yang
1School of Material Engineering, Jinling Institute of Technology, Nanjing 211169, People's Republic of China.
Summary
This study details the crystallographic structure of a novel compound, C(8)H(12)Br(2)O(4). The research reveals its meso form and a unique three-dimensional molecular network facilitated by intermolecular interactions.
Area of Science:
- Crystallography
- Organic Chemistry
- Solid-State Chemistry
Background:
- Understanding the three-dimensional arrangement of atoms in molecules is crucial for predicting chemical properties.
- The formation of specific crystalline structures influences material characteristics and reactivity.
- Intermolecular forces play a significant role in the self-assembly of molecules in the solid state.
Purpose of the Study:
- To elucidate the crystal structure of the compound C(8)H(12)Br(2)O(4).
- To investigate the presence of symmetry elements and their implications for molecular form.
- To identify and characterize the intermolecular interactions responsible for the observed crystal packing.
Main Methods:
- Single-crystal X-ray diffraction analysis was employed to determine the molecular and crystal structure.
- Crystallographic data were analyzed to identify the center of inversion and the molecular conformation.
- Non-covalent interaction analysis was performed to study the C-H⋯O interactions.
Main Results:
- The compound C(8)H(12)Br(2)O(4) crystallizes with a center of inversion located at the midpoint of the central C-C bond.
- The presence of the inversion center is consistent with the observed meso form of the molecule.
- Intermolecular C-H⋯O interactions were identified as the primary driving force for the formation of a 3D network structure.
Conclusions:
- The crystal structure of C(8)H(12)Br(2)O(4) is characterized by a high degree of symmetry due to a crystallographic inversion center.
- The molecule adopts a meso conformation, a direct consequence of the inversion symmetry.
- The observed three-dimensional network in the solid state is stabilized by a network of intermolecular C-H⋯O hydrogen bonds, highlighting their importance in crystal engineering.
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