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Updated: Jul 17, 2026

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
Published on: February 15, 2016
Conformation and structure of bis(glycyl-L-aspartic acid) oxalate 0.4-hydrate
R Chitra1, Vijay Thiruvenkatam, R R Choudhury
1Solid State Physics Division, Bhabha Atomic Research Centre, Trombay, Mumbai, India. rchitra@apsara.barc.ernet.in
Abstract:
The title bis(glycyl-L-aspartic acid) oxalate complex {systematic name: bis[2-(2-ammonioacetamido)butanedioic acid] oxalate 0.4-hydrate}, 2C6H11N2O5+.C2O4(2-).4H2O, crystallizes in a triclinic space group with the planar peptide unit in a trans conformation. The asymmetric unit consists of two glycyl-L-aspartic acid molecules with positively charged amino groups and neutral carboxyl groups, and an oxalate dianion. The twist around the C-Calpha bond indicates that both the peptide molecules adopt extended conformations, while the twist around the N-Calpha bond shows that one has a folded and the other a semi-extended state. The present complex can be described as an inclusion compound with the dipeptide molecule as the host and the oxalate anion as the guest. The usual head-to-tail sequence of aggregation is not observed in this complex, as is also the case with the glycyl-L-aspartic acid dihydrate molecule. The study of aggregation and interaction patterns in binary systems is the first step towards understanding more complex phenomena. This further leads to results that are of general interest in bimolecular aggregation.
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