Crystal and Molecular Structures of a New anti-ulcer Agent, 3-[p-(trans-4-Aminomethylcyclohexylcarbonyl)phenyl]-propionic Acid Hydrochloride

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The crystal and molecular structures of 3-[p-(trans-4-aminomethylcyclohexylcarbonyl)phenyl]-propionic acid hydrochloride, which is an anti-ulcer agent, have been determined by X-ray analysis. The crystal belongs to space group P2_1/n, with lattice parameters a=5.3443(2), b=57.616(3), c=5.5881(2)Å, β=90.080(5)°, and Z=4. The structure, in which the aminomethylcyclohexyl moiety and phenylpropionic acid moiety are connected by the planar carbonyl group, takes a rigid bentrod like conformation. In the crystal the molecules are dimerized in a head-to-head fashion with hydrogen bonding between the carboxy groups at one end. Protonated amino groups at the other end of the molecules and the chloride ions gather at y⋍b/4 and (3/4)b.
社団法人日本薬学会の論文
1986-09-25