Cyclo(-l-prolyl-l-valinyl-) from Burkholderia thailandensis MSMB43

Xiang Yang Liu, Cheng Wang, Yi Qiang Cheng

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Abstract

The title compound [systematic name: (3S,8aS)-3- isopropylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione], C10H 16N2O2, is a newly isolated cyclic dipeptide from Burkholderia thailandensis MSMB43. There are two independent molecules in the asymmetric unit. Two C atoms and their attached H atoms in the five-membered ring of one of the molecules are disordered over two sets of sites in a 0.715(5):0.285(5) ratio. The two independent molecules have the same configuration and the absolute configurations of the chiral centers were determined based on the observation of anomalous dispersion. In the crystal, two types of N-H⋯O hydrogen bonds link pairs of independent molecules.

Original languageEnglish
Pages (from-to)o3182-o3183
JournalActa Crystallographica Section E: Structure Reports Online
Volume68
Issue number11
DOIs
Publication statusPublished - 1 Nov 2012

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Keywords

  • R factor = 0.031
  • T = 100 K
  • data-to-parameter ratio = 13.5
  • disorder in main residue
  • mean ̄(C-C) = 0.002 Å
  • single-crystal X-ray study
  • wR factor = 0.075

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