Orphenadrinium picrate picric acid

Abstract

The asymmetric unit of the title compound N,N-dimethyl-2-[(2-methyl­phen­yl)phenyl­meth­oxy]ethanaminium picrate picric acid, C18H24NO+·C6H2N3O7 −·C6H3N3O7, contains one orphenadrinium cation, one picrate anion and one picric acid mol­ecule. In the orphenadrine cation, the two aromatic rings form a dihedral angle of 70.30 (7)°. There is an intra­molecular O—H⋯O hydrogen bond in the picric acid mol­ecule, which generates an S(6) ring motif. In the crystal structure, the orphenadrine cations, picrate anions and picric acid mol­ecules are connected by strong inter­molecular N—H⋯O hydrogen bonds, π⋯π inter­actions between the benzene rings of cations and anions [centroid–centroid distance = 3.5603 (9) Å] and weak C—H⋯O hydrogen bonds, forming a three-dimensional network.

Structural, spectral, thermodynamical, NLO, HOMO, LUMO and NBO analysis of fluconazole

“…From the theoretical values it can be found that most of the optimized bond lengths are slightly higher than the experimental values [17,18]. The deviations can be attributed to the fact that the theoretical calculations were aimed at the isolated molecules in the gaseous phase and the experimental result was aimed at the molecule in the solid state.…”

“…δH31-C14-H30(10), νN15-C19 (17),νN8-C12 (14) Methylene -II Scissoring , Triazole C-N stretching. 1453 1405 --νN15-C19 (17) …”

Orphenadrinium picrate

“…The solid-state structure of orphenadrine hydrochloride and conformational comparisons with diphenhydramine hydrochloride and nefopam hydrochloride was reported (Glaser et al, 1992). The crystal structure of orphenadrinium picrate picric acid is recently reported (Fun et al, 2010). The present work reports the crystal structure of the title compound, (I), which was obtained by the interaction between orphenadrine hydrochloride and 2,4,6-trinitrophenol in aqueous medium.…”

“…For the pharmacological activity of the title compound, see: Hunskaar & Donnel (1991). For related structures, see: Fun et al (2010); Glaser et al (1992).…”

Orphenadrinium dihydrogen citrate

“…For a clinical and pharmacological review of the efficacy of orphenadrine, see: Hunskaar & Donnel (1991). For related structures, see: Fun et al (2010); Glaser et al (1992); Jasinski et al (2011). For standard bond lengths, see Allen et al (1987).…”