TY - JOUR
T1 - Cyclo(-l-prolyl-l-valinyl-) from Burkholderia thailandensis MSMB43
AU - Liu, Xiang Yang
AU - Wang, Cheng
AU - Cheng, Yi Qiang
PY - 2012/11
Y1 - 2012/11
N2 - 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.
AB - 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.
KW - R factor = 0.031
KW - T = 100 K
KW - data-to-parameter ratio = 13.5
KW - disorder in main residue
KW - mean ̄(C-C) = 0.002 Å
KW - single-crystal X-ray study
KW - wR factor = 0.075
UR - http://www.scopus.com/inward/record.url?scp=84870906800&partnerID=8YFLogxK
U2 - 10.1107/S1600536812043000
DO - 10.1107/S1600536812043000
M3 - Article
C2 - 23284494
AN - SCOPUS:84870906800
SN - 1600-5368
VL - 68
SP - o3182-o3183
JO - Acta Crystallographica Section E: Structure Reports Online
JF - Acta Crystallographica Section E: Structure Reports Online
IS - 11
ER -