Crystal structure and Hirshfeld surface analyses, crystal voids, inter­molecular inter­action energies and energy frameworks of 3-benzyl-1-(3-bromoprop­yl)-5,5-di­phenyl­imidazolidine-2,4-dione
2024

Crystal Structure of a New Imidazolidine Compound

publication Evidence: moderate

Author Information

Author(s): Lamssane Houda, Haoudi Amal, Kartah Badr Eddine, Mazzah Ahmed, Mague Joel T., Hökelek Tuncer, Kandri Rodi Youssef, Sebbar Nada Kheira

Primary Institution: Sidi Mohamed Ben Abdellah University, Faculty Of Science And Technology, Fez, Morocco

Hypothesis

The study aims to analyze the crystal structure and intermolecular interactions of 3-benzyl-1-(3-bromopropyl)-5,5-diphenylimidazolidine-2,4-dione.

Conclusion

The compound exhibits a cup-shaped conformation with significant hydrogen bonding and weak interactions contributing to its crystal packing.

Supporting Evidence

  • The Hirshfeld surface analysis showed that H⋯H interactions are the most significant in the crystal packing, contributing 51.0%.
  • The volume of the crystal voids was calculated to be 251.24 Å3, indicating compact packing.
  • Evaluation of interaction energies revealed that dispersion energy is the dominant factor in stabilizing the crystal structure.

Takeaway

Scientists studied a new chemical compound to see how its molecules stick together, and they found that weak bonds help hold it in shape.

Methodology

The study involved synthesizing the compound, determining its molecular and crystal structures, and performing a Hirshfeld surface analysis.

Digital Object Identifier (DOI)

10.1107/S2056989024009228

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