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

Crystals

Ignacio Alfonso²  Michael Bolte³  M. Isabel Burguete¹ 

[1] Departamento de Química Inorgánica y Orgánica, Universidad Jaume I, Avenida Sos Baynat, s/n, E-12071, Castellón, Spain;Departamento de Química Biológica y Modelización Molecular, Instituto de Quimica Avanzada de Cataluña (IQAC-CSIC), Jordi Girona 18-26, E-08034 Barcelona, Spain;Institut für Anorganische Chemie, J.-W.-Goethe-Universität, Max-von-Laue-Str.7, D-60438 Frankfurt/Main, Germany

关键词: peptides;    alanylphenylalanyl derivative;    crystal structure;    hydrogen bond;   

DOI  :  10.3390/cryst1030163

来源: mdpi

【 摘 要 】

Large crystals of the methyl ester of the N-α-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) ų, 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.

【 授权许可】

CC BY   
© 2011 by the authors, licensee MDPI, Basel, Switzerland.