Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 8 (August 2013)

organic compounds

qs3026 scheme

Acta Cryst. (2013). C69, 888-891    [ doi:10.1107/S0108270113017484 ]

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

C. H. Görbitz and V. N. Yadav

Abstract: 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.

Formula: C7H14N2O4

Keywords: crystal structure; dipeptides; disorder.

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[ doi:10.1107/S0108270113017484/qs3026Isup3.cml ]
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