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-di-hydroxy-benzoate propan-2-ol monosolvate.

ABSTRACT: The asymmetric unit of the title salt, C₁₇H₂₁N₄S⁺·C₇H₅O₄ ^-·C₃H₇OH, consists of an olanzapinium cation, an independent 2,5-di-hydroxy-benzoate anion and a solvent isopropyl alcohol mol-ecule. 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.

SUBMITTER: Natchimuthu V 

PROVIDER: S-EPMC7336797 | biostudies-literature | 2020 Jul

REPOSITORIES: biostudies-literature