Acta Crystallographica Section C

Crystal Structure Communications

Volume 63, Part 10 (October 2007)

organic compounds

bm3032 scheme

Acta Cryst. (2007). C63, o572-o575 [ doi:10.1107/S0108270107038413 ]

N-Acetyl-L-tyrosine methyl ester monohydrate at 293 and 123 K

A. Janik, A. Chyra and K. Stadnicka

Abstract: The crystal structure of a protected L-tyrosine, namely N-acetyl-L-tyrosine methyl ester monohydrate, C₁₂H₁₅NO₄·H₂O, was determined at both 293 (2) and 123 (2) K. The structure exhibits a network of O-HO and N-HO hydrogen bonds, in which the water molecule plays a crucial role as an acceptor of one and a donor of two hydrogen bonds. Molecules of water and of the protected L-tyrosine form hydrogen-bonded layers perpendicular to [001]. C-H [pi] interactions are observed in the hydrophobic regions of the structure. The structure is similar to that of N-acetyl-L-tyrosine ethyl ester monohydrate [Soriano-García (1993). Acta Cryst. C49, 96-97].

Formula: C₁₂H₁₅NO₄·H₂O


	Structure factor file (CIF format) (107.1 kbytes) [ doi:10.1107/S0108270107038413/bm3032Iasup2.hkl ] Contains datablock Ia

	Structure factor file (CIF format) (134.2 kbytes) [ doi:10.1107/S0108270107038413/bm3032Ibsup3.hkl ] Contains datablock Ib

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