Crystal structure of acetamidinium chloride

Abstract

The crystal structure of the title compound has been determined by the heavy atom method from X-ray diffractometer data and refined by full-matrix least-squares to R 0.037 for 855 observed reflections. Crystals are monoclinic, space group C2/c, a= 11.673(2). b= 9.862(2), c= 9.601 (1)Å. β= 111.71 (2). Z= 4. The structure comprises a planar CCN₂ skeleton with equal C–N bonds (mean C–N 1.30₇Å) and a short C–C single bond [1.477(3)Å]. The chloride ion is surrounded by four amino-hydrogen atoms 2.33(2)–2.46(2)Å; two of the hydrogen contacts are to the same cation from independent NH₂ groups in a ‘chelate’ arrangement.