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Crystal Structure of the N-Benzyloxycarbonyl-alanyl-phenylalanyl-methyl Ester: The Importance of the H-Bonding Pattern

AutorAlfonso, Ignacio; Bolte, Michael; Burguete, M. Isabel; Luis, Santiago V.
Palabras clavePeptides
Alanylphenylalanyl derivative
Crystal structure
Hydrogen bond
Fecha de publicación2011
EditorMultidisciplinary Digital Publishing Institute
CitaciónCrystals 1 (3): 163-170 (2011)
ResumenLarge crystals of the methyl ester of the N-a-benzyloxycarbonyl protected Ala-Phe dipeptide (Z-AF-OMe) were obtained after the very slow evaporation of a solution of the corresponding carboxylic acid (Z-AF-OH) in methanol containing an excess of HCl. The structure was confirmed by single crystal X-ray diffraction data. It crystallizes in the orthorhombic space group P212121 with unit cell dimensions a = 5.0655(6) Å, b = 8.4614(8) Å, c = 46.856(5) Å, V = 2008.3(4) Å3, Z = 4. In the crystal, the molecules form hydrogen bonded chains running along the a axis of the unit cell. Other secondary interactions are also discussed.
Versión del editorhttp://dx.doi.org/10.3390/cryst1030163
URIhttp://hdl.handle.net/10261/47502
DOI10.3390/cryst1030163
ISSN2073-4352
E-ISSN2073-4352
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