Abstract
The (S)-2-amino-3-guanidinopropanoic acid (HAGP) is unnatural homologue of l-arginine. Three new isostructural salts were synthesized (H3AGP)Cl2, (H3AGP)Br2 and (H3AGP)I2. They crystallize in orthorhombic symmetry, space group P212121 with Z = 4. Analysis of molecular and crystal structures reveals complexity of hydrogen bonding network. Graph-set approach was used to describe hydrogen bonding patterns. Algebraic juxtaposition of the elementary graph-set descriptors gave all the patterns found in the crystal structures. Infra-red and Raman spectra were interpreted based on theoretical calculations for the [(H3AGP)Cl6]4– cation and further potential energy distribution analysis.
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