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The crystal and molecular structure of N -acetyl- DL -phenylalanine- N -methylamide

1974; International Union of Crystallography; Volume: 30; Issue: 3 Linguagem: Inglês

10.1107/s0567740874003591

1600-8650

Y. Harada, Yöichi Iitaka,

Inorganic and Organometallic Chemistry

Crystals of the title compound grown from an aqueous solution are monoclinic, space group P21/n, with a= 1945 (4), b=498 (1), c= 12.29 (2) ,~, fl=91.92 (7) ° and Z=4. The structure was solved by the symbolic addition method and refined by the method of least-squares to an R value of 0.06 for 645 reflexions. The molecule adopts an extended conformation and the ~0CN and ~cc angles are close to those given for the pleated-sheet structure. The C ~ atom is situated at the trans position to the carbonyl carbon atom and the benzene ring is nearly perpendicular to the C'CeC ~' plane. Successive molecules translated in the b direction are bound together through hydrogen bonds to form a sheet which closely resembles the parallel-chain pleated-sheet structure.