The crystal structure of <scp>DL</scp>-<i>N</i>-chloroacetylalanine

Abstract

DL-N-Chloroacetylalanine, C1CH2CONHCH(COOH)(CH3), crystallizes in the monoclinic space group P21/c with unit-cell parameters a=10.807+0.003, b=7-584+0-001, c=9.402+0.002/~ and fl= 108.97 + 012 ° at T= 22°C. There are four molecules per unit cell. Intensity data complete to sin 0/2= 0.61 were collected by diffractometer methods using Cu Ks radiation. The structure was deduced by direct methods and subsequently refined by block-diagonal least-squares methods to a weighted index of 0.055. The molecules exists in an extended configuration. The plane defined by the carboxyl group makes an angle of 20.1 ° with respect to the chain of the molecule. Hydrogen bonds link molecules together along the b axis.