Science paper The Crystal and Molecular Structure of 5-Methoxy-(N,N)-dimethyltryptamine Hydrochloride

BY G. FALKENBERG AND D. CARLSTROM

Department of Medical Physics, Karolinska Institute, S-104 01 Stockholm 60, Sweden(Received 6 April 1970)
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The hydrochloride of the strongly hallucinogenic indole amine 5-methoxy-(N,N)-dimethyltryptamine crystallizes in the orthorhombic space group Pcab with a= 17.40, b---22.86, c=6"98/~; Z=8. The structure was determined from Patterson projections and refined by the method of least-squares toR = 0.062 for 2204 observed reflexions. The almost planar indole nucleus is rotated 23.4 '~ to the nearly planar side chain. The configuration of the molecule is compared with other indole derivatives. The layered structure is mainly held together by van der Waals forces but there is one hydrogen bond(3.02 ,~) between the N+H of the side chain and the chloride ion.