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Related Experiment Videos

1-(4-Bromo-benz-yl)-2-(4-bromo-phen-yl)-1H-benzimidazole.

Hua-Jun Ma1, Zhi-Rong Qu1

  • 1Key Laboratory of Organosilicon Chemistry and Material Technology of the Ministry of Education, Hangzhou Normal University, No. 58, Haishu Road, Hangzhou, 311121, People's Republic of China.

Acta Crystallographica. Section E, Structure Reports Online
|May 27, 2014
PubMed
Summary
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This study details the crystal structure of a novel C20H14Br2N2 compound, revealing distinct molecular conformations and intermolecular interactions. Weak hydrogen bonds and bromine-bromine interactions influence the crystal packing.

Area of Science:

  • Crystallography
  • Organic Chemistry
  • Materials Science

Background:

  • Benzimidazole derivatives are important scaffolds in medicinal chemistry.
  • Halogenated organic compounds exhibit unique electronic and structural properties.

Purpose of the Study:

  • To elucidate the crystal structure of the title compound C20H14Br2N2.
  • To analyze the molecular conformation and intermolecular interactions within the crystal lattice.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the crystal structure.
  • Analysis of dihedral angles and interatomic distances provided insights into molecular geometry.
  • Hydrogen bonding and halogen bonding interactions were identified and characterized.

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Main Results:

  • The asymmetric unit contains two distinct molecules of C20H14Br2N2.
  • Significant variations in dihedral angles between the benzimidazole core and substituted phenyl rings were observed between the two molecules.
  • Intermolecular interactions include weak C-H⋯N and C-H⋯Br hydrogen bonds, as well as Br⋯Br interactions.

Conclusions:

  • The crystal structure of C20H14Br2N2 reveals complex molecular arrangements influenced by steric and electronic factors.
  • The identified intermolecular interactions play a crucial role in stabilizing the crystal packing.
  • This structural information is valuable for understanding the properties and potential applications of this class of compounds.