The crystal structure of 1-(p-chlorophenyl)-5-isopropylbiguanide hydrochloride (“paludrine”)

Abstract

The crystal structure of 1-(p-chlorophenyl)-5-isopropylbiguanide hydrochloride has been determined from three-dimensional X-ray diffraction measurements. A total of 1882 structure amplitudes was used in the refinement, resulting in R= 6·6% and standard deviations of ca. 0·005 Å in the atomic co-ordinates. The organic cation is roughly U-shaped, and the chloride anion is co-ordinated to six nitrogen atoms at a mean distance of 3·270 Å. The biguanide part of the cation consists of two planes of atoms each containing a CN₃ group; the planes intersect at 58·9° and the mean C–N length is 1·328 Å. Crystal data for a number of related compounds have also been determined.