
%0 Journal Article
%A Kennard, CHL 
%A Matsuura, Y 
%A Tanaka, N 
%A Kakudo, M 
%T Crystal Structure of N-Acetylkynurenine
%J Australian Journal of Chemistry
%D 1979/04/01
%V 32
%N 4
%P 911-915
%K 
%R https://doi.org/10.1071/CH9790911
%U https://www.publish.csiro.au/paper/CH9790911 
%X The crystal structure of N-acetylkynurenine [o-NH2C6H4COCH2CH(COOH)NHCOCH3] was determined by direct methods. The crystals are monoclinic, a 11.200(2), b 9.708(1), c 11.451(1) Å,&#946; 90.16(2)º, space group P21, with Z 4. The structure was refined by least squares to R 0.033 with 1909 unique reflections, collected on an automated four-circle diffractometer. The structure is similar to the related L-trytophan hydrochloride. The two molecules in the asymmetric unit (A,B) are generally similar structurally but differ slightly in the conformation of the N-acetyl chain which has dihedral angles with the plane of the benzene ring of 78.0º (A) and 81.5º (B). Torsion angles about the C(&#945;)-C(&#946;) bond between C(&#947;) and both the carboxyl and the amino groups make them mutually gauche. There is an extensive hydrogen-bonding system between the two distinct molecules and between similar molecules either to form a dimer or a linear polymer. 
