4-Bromobenzoyl 4-bromobenzoate monohydrate
2011

Crystal Structure of 4-Bromobenzoyl 4-bromobenzoate Monohydrate

publication Evidence: moderate

Author Information

Author(s): Schmitt Bonell, Gerber Thomas, Hosten Eric, Betz Richard

Primary Institution: Nelson Mandela Metropolitan University

Conclusion

The study reveals the crystal structure of a hydrated anhydride of para-bromobenzoic acid, characterized by specific hydrogen bonding interactions.

Supporting Evidence

  • The crystal structure shows a dihedral angle of 45.76° between the aromatic rings.
  • Intermolecular hydrogen bonds link the molecules into chains parallel to the a axis.
  • No π–π stacking interactions were observed in the crystal structure.

Takeaway

The researchers looked at a special chemical compound and found out how its tiny parts are arranged in a crystal, showing how they stick together.

Methodology

The compound was synthesized by reacting 4-bromobenzyl chloride with potassium thiocyanate and dipyridin-2-ylamine in refluxing acetone, followed by X-ray diffraction analysis.

Digital Object Identifier (DOI)

10.1107/S1600536811022264

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