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1,4-Dibromo-2,5-dibut-oxy-benzene
Acta Crystallographica. Section E, Structure Reports Online
|September 13, 2012
Summary
This study details the crystal structure of a novel organic compound, C(14)H(20)Br(2)O(2). The molecule forms a planar structure and connects via C-Br···O halogen bonds into a 2D network.
Area of Science:
- Crystal chemistry
- Organic chemistry
- Supramolecular chemistry
Background:
- Understanding molecular arrangement in crystals is key to predicting material properties.
- Halogen bonding plays a significant role in crystal engineering and supramolecular assembly.
Purpose of the Study:
- To elucidate the crystal structure of the title compound C(14)H(20)Br(2)O(2).
- To investigate the intermolecular interactions, specifically halogen bonding, governing 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 deviations from planarity was performed.
Main Results:
- The asymmetric unit contains a half-molecule at an inversion center, resulting in a centrosymmetric molecule.
- The molecule exhibits near planarity, with the butoxy group in an all-trans conformation.
- A two-dimensional corrugated network is formed through C-Br···O halogen bonds (Br···O = 3.2393 Å).
Conclusions:
- The crystal structure of C(14)H(20)Br(2)O(2) is characterized by planar molecules and an extended butoxy group.
- C-Br···O halogen bonds are the primary driving force for the formation of the observed 2D supramolecular network.
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