One-step synthesis of 2-Methyl-2,4-Diphenyl-2,3-Dihydro-1H-Benzo[b][1,4]diazepine: Investigating crystal structure, hirshfeld surface analysis and supercapacitor applications

Topkaya C., HÖKELEK T., ASLAN S., GÖKTÜRK T., Kincal S., Caglar U., ...Daha Fazla

JOURNAL OF MOLECULAR STRUCTURE, cilt.1318, 2024 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 1318
  • Basım Tarihi: 2024
  • Doi Numarası: 10.1016/j.molstruc.2024.139461
  • Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Chemical Abstracts Core, Chimica, Compendex, INSPEC
  • Hacettepe Üniversitesi Adresli: Evet

Özet

This study reports the synthesis, spectroscopic characterization and detailed crystal structure analysis of a benzodiazepine compound, 2-methyl-2,4-diphenyl-2,3-dihydro-1H-benzo[b][1,4]diazepine, synthesized from 1,2-phenylenediamine and acetophenone. The crystal structure, determined via single crystal X-ray analysis, reveals the compound's placement within the monoclinic system with the P2(1)/c space group. The asymmetric unit comprises the main molecule and an uncoordinated water molecule linked through an intramolecular O-H center dot center dot center dot N hydrogen bond. The crystal packing is influenced by centrosymmetric dimers formed by uncoordinated water molecules through O-H center dot center dot center dot N hydrogen bonds, along with weak C-H center dot center dot center dot pi interactions. Hirshfeld surface analysis highlights the significance of H ... H and H ... C/C ... H interactions in the crystal packing, providing insight into the intermolecular forces at play. Supercapacitance performance of the GCPE/LDABA electrode was assessed and specific capacitance value of 17.89 mF g(-1) was achieved in a 0.1 M Na2SO4 electrolyte. Long-term stability of the GCPE/LDABA electrode was maintained up to 2000 cycles. This study not only elucidates the structural features of the title compound but also sheds light on its potential utility through an investigation into its electrochemical performance via supercapacitor application.