ISSN:
1572-8854
Source:
Springer Online Journal Archives 1860-2000
Topics:
Geosciences
,
Physics
Notes:
Abstract The crystal and molecular structure of the benzylisoquinoline alkaloid papaverine hydrochloride, C20H21NO4. HCl, has been determined with CuKα diffractometer data by direct methods. The compound crystallizes in the monoclinic space groupP21/c (No. 14) witha= 13.059(3),b = 15.620(3),c = 9.130(2) Å and β = 92.14(1) °. The structure was refined by full-matrix least-squares methods toR = 0.052 using all 2652 reflections. The nitrogen atoms is protonated and forms a strong hydrogen bond with the chloride ion, the N ... Cl distance being 3.01 Å. The isoquinoline ring is slightly non-planar but the benzene ring is planar within experimental error. The dihedral angle between the benzene ring and the best plane through the isoquinoline group is 109 °. The molecular structure of papaverine is of interest in gaining a better understanding of its pharmacological action on smooth muscle.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01198178
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