Crystal structure and Hirshfeld surface analysis of 1-methyl-4-(2-methyl-10H-benzo[b]thieno[2,3-e][1,4]diazepin-4-yl)piperazin-1-ium 2,5-dihydroxybenzoate propan-2-ol monosolvate

Abstract

<jats:p>The asymmetric unit of the title salt, C<jats:sub>17</jats:sub>H<jats:sub>21</jats:sub>N<jats:sub>4</jats:sub>S<jats:sup>+</jats:sup>·C<jats:sub>7</jats:sub>H<jats:sub>5</jats:sub>O<jats:sub>4</jats:sub> <jats:sup>−</jats:sup>·C<jats:sub>3</jats:sub>H<jats:sub>7</jats:sub>OH, consists of an olanzapinium cation, an independent 2,5-dihydroxybenzoate anion and a solvent isopropyl alcohol molecule. The central seven-membered heterocycle is in a boat conformation, while the piperazine ring displays a distorted chair conformation. The dihedral angle between the benzene and thiene rings flanking the diazepine ring is 52.58 (19)°. In the crystal, the anions and cations are connected by N—H...O and O—H...O hydrogen bonds, forming a three-dimensional network.</jats:p>