An unexpected tetragonal unit cell for N-(L-2-aminobutyryl)-L-serine

作者：Gorbitz Carl Henrik^*; Yadav Vitthal N

来源：Acta Crystallographica Section C-Crystal Structure Communications, 2013, 69(8): 888-+.

DOI：10.1107/S0108270113017484

• crystal structure
• dipeptides
• disorder

The title dipeptide {systematic name: (S)-2-[(S)-2-azaniumylbutanamido]-3-hydroxypropanoate}, C7H14N2O4, was synthesized in the anticipation that it would form nanoporous crystals with hexagonal symmetry. Single-crystal X-ray diffraction analysis showed that it had instead adopted a unit cell in the space group I4, similar to l-alanyl-l-alanine [Fletterick, Tsai & Hughes (1970). J. Phys. Chem. 75, 918-922]. The resulting packing arrangement has a high density for a peptide (1.462 Mg m(-3)), which is rendered possible by extensive disorder over two positions for the ethyl side chain of the 2-aminobutyric acid fragment and over three positions for the serine side chain.

• 出版日期2013-8