Crystal and molecular structure of the alimemazine cation radical

Abstract

The crystal structure of the alimemazine (trimeprazine) cation radical, a phenothiazine drug molecule, has been determined from three-dimensional X-ray diffraction data and refined by least-squares methods. Cell constants were a 10.674 9(4), b 12.741 9(5), c 9.509 9(4)Å, α 110.863(3), β 103.433(3), γ 66.671(4)°, Z= 2. The molecule is planar, the angle between the best planes for the two benzene rings being 1.9(3)°, The C–S–C angle is 102.6(4)° and S–C bonds are 1.709(11) and 1.710(7)Å in length. The side-chain is protonated at the nitrogen atom and asymmetrically placed in relation to the tricyclic system.