Nair, CMK and Vijayan, M (1980) Structure of a peptide oxazolone: 2-(1'-benzyloxycarbonylamino-1'-methylethyl)-4,4-dimethyl-5-oxazolone. In: Acta Crystallographica Section-B Structural Crystallography and Crystal Chemistry, 36 (6). pp. 1498-1500.
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C16H20N204, monoclinic, P21, a = 6.270 (1),b= 11.119(3),c= ll.640(4)A, fl= 100.7 (2)°,Dm = 1-27 (flotation), Dc = 1-26 Mg m -3, Z = 2. The structure has been refined to a final R value of 0.041 for 1584 independent counter-measured reflections. The oxazolone ring in the molecule is nearly planar. The exocyclic O atom is 0.065 A out of the plane defined by the other four atoms in the ring belonging to the lactone group. The difference in length between the two adjacent C-O bonds in the ring is small, but significant. The crystal structure is stabilized by van der Waals interactions and a N--H... N hydrogen bond.
|Item Type:||Editorials/Short Communications|
|Additional Information:||Copyright of this article belongs to International Union of Crystallography.|
|Department/Centre:||Division of Biological Sciences > Molecular Biophysics Unit|
|Date Deposited:||04 Feb 2010 11:33|
|Last Modified:||19 Sep 2010 05:38|
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