title: N-acetyl-L-tyrosine methyl ester monohydrate at 293 and 123 K.
abstract: The crystal structure of a protected L-tyrosine, namely N-acetyl-L-tyrosine methyl ester monohydrate, C(12)H(15)NO(4).H(2)O, was determined at both 293 (2) and 123 (2) K. The structure exhibits a network of O-H...O and N-H...O 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].
authors.affiliation: Faculty of Chemistry, Jagiellonian University, Ingardena 3, 30-060 Krakow, Poland. janik@chemia.uj.edu.pl
authors.forename: Alicja
authors.initials: A
authors.lastname: Janik
authors.forename: Anna
authors.initials: A
authors.lastname: Chyra
authors.forename: Katarzyna
authors.initials: K
authors.lastname: Stadnicka
mesh_terms: D018360:Crystallography, X-Ray; D004151:Dipeptides / Q000737:chemistry*; D006860:Hydrogen Bonding; D008958:Models, Molecular; D015394:Molecular Structure; D013237:Stereoisomerism; D013696:Temperature; D014867:Water
chemical_list: D004151:Dipeptides; D014867:Water; C062175:N-acetylleucyl-tyrosine methyl ester