8-Chloro-6-(3-dimethylaminopropylamino)-11H-pyrido[2,3-b][1,4]benzodiazepine

in Acta Crystallographica Section E-Structure Reports Online (2002), 58(Part 1), 69-71

The crystal structure determination of the title compound, C17H20ClN5, has been undertaken as part of studies on antipsychotic drugs. Its structure is compared with that of clozapine (C18H19ClN4), a well ... [more ▼]

The crystal structure determination of the title compound, C17H20ClN5, has been undertaken as part of studies on antipsychotic drugs. Its structure is compared with that of clozapine (C18H19ClN4), a well known atypical antipsychotic drug. The side chain is more flexible than in the N-methylpiperazine analogues, but its folding is influenced by an intramolecular N-H . . .N hydrogen bond. The distances between the N-distal atom, a possible pharmacophore, and the centres of the two aromatic rings are significantly shorter than in clozapine. The crystal packing involves one N-H . . .N intermolecular hydrogen bond. The title compound showed no affinity for the receptors tested. [less ▲]