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Journal of Structural Chemistry

, Volume 59, Issue 5, pp 1200–1204 | Cite as

Characterization and Computational Studies of a co-Crystal of 2-Aminobenzimidazole and 2-[(Benzoylcarbamothioyl)Amino]Propanoic Acid

  • F. OdameEmail author
  • E. C. Hosten
  • R. Betz
  • K. Lobb
  • Z. R. Tshentu
Article

Abstract

A novel co-crystal of 2-aminobenzimidazole and 2-[(benzoylcarbamothioyl)amino] propanoic acid is synthesized and characterized by spectroscopy, elemental analysis, GC-MS, and single crystal XRD. A computation of the structures involved in the formation of the co-crystal are carried out and their contribution to reactivity is explained.

Keywords

synthesis alanine amino acid co-crystal frontier orbitals 

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Copyright information

© Pleiades Publishing, Ltd. 2018

Authors and Affiliations

  • F. Odame
    • 1
    Email author
  • E. C. Hosten
    • 1
  • R. Betz
    • 1
  • K. Lobb
    • 2
  • Z. R. Tshentu
    • 1
  1. 1.Department of ChemistryNelson Mandela Metropolitan UniversityPort ElizabethSouth Africa
  2. 2.Department of ChemistryRhodes UniversityGrahamstownSouth Africa

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