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9-(2-Bromo-eth-yl)-9H-carbazole.
Bao-Hua Zhao1, Xiao-Fei Zhu, Shuang Guan
1School of Chemistry and Life Science, Changchun University of Technology, Changchun 130012, People's Republic of China.
This study details the crystal structure of C(14)H(12)BrN, revealing a slight buckling in its fused-ring system. The two benzene rings exhibit a distinct inclination of 3.41 degrees, offering insights into molecular geometry.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- Fused-ring systems are common motifs in pharmaceuticals and materials science, making their structural characterization important.
Purpose of the Study:
- To determine and describe the precise molecular geometry of the title compound, C(14)H(12)BrN.
- To analyze the degree of buckling and inter-ring inclination within the fused-ring system.
Main Methods:
- Single-crystal X-ray diffraction was employed to obtain the detailed atomic coordinates.
- Crystallographic data was analyzed to determine bond lengths, bond angles, and dihedral angles.
Main Results:
- The crystal structure of C(14)H(12)BrN was successfully elucidated.
- A slight buckling of the fused-ring system was observed.
- The two constituent benzene rings were found to be inclined to each other by an angle of 3.41(14)°.
Conclusions:
- The molecular geometry of C(14)H(12)BrN features a non-planar fused-ring system.
- The observed inter-ring inclination provides specific structural data for this organic compound.
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