Synthesis and crystal structure of peptide dimethyl biphenyl hybrid C52H60N6O10·0.25H2O

Acta Crystallogr E Crystallogr Commun. 2020 Sep 25;76(Pt 10):1675-1678. doi: 10.1107/S2056989020012931. eCollection 2020 Oct 1.

Abstract

The synthesis and crystal structure of peptide 6,6'-dimethyl biphenyl hybrid are described. The title compound was synthesized by reaction between 6,6'-dimethyl-[1,1'-biphen-yl]-2,2'-dicarbonyl dichloride in CH2Cl2, amine HN-proline-phenyl-alanine-alanine-COOMe and Et3N at 273 K under N2 atmosphere and characterized by single-crystal X-ray diffraction. The asymmetric unit contains one peptide mol-ecule and a quarter of a water mol-ecule. A disorder of a methyl and meth-oxy-carbonyl group of one alanine residue is observed with occupancy ratio 0.502 (6):0.498 (6). The structure is consolidated by intra- and inter-molecular hydrogen bonds.

Keywords: Pro-Phe-Ala; crystal structure; hydrogen bonding; peptide dimethyl biphenyl hybrids.

Grants and funding

This work was funded by Asia Research Center-Vietnam National University grant CA.20.7A. Korea Foundation for Advanced Studies grant CA.20.7A.