X-ray analysis of the structure and correlation with the spectra of haplophytine

Abstract
Haplophytine crystallizes as the methanolate in the orthorhombic space group P212121 with a = 13.874(4), b = 10.628(4), c = 22.890(9) Å, Z = 4. X-Ray structure analysis confirms that the previously assigned structure 3 is correct and that haplophytine undergoes reversible rearrangement on conversion to its dihydrobromide 1. The dimensions of 3 provide evidence supporting previous interpretations of unusual features of the infrared and proton magnetic resonance spectra of haplophytine.

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