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Crystals 2011, 1(3), 163-170; doi:10.3390/cryst1030163
Article

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

1,* , 2, 3 and 3,*
1 Departamento de Química Biológica y Modelización Molecular, Instituto de Química Avanzada de Cataluña (IQAC-CSIC), Jordi Girona 18-26, E-08034 Barcelona, Spain 2 Institut für Anorganische Chemie, J.-W.-Goethe-Universität, Max-von-Laue-Str.7, D-60438 Frankfurt/Main, Germany 3 Departamento de Química Inorgánica y Orgánica, Universidad Jaume I, Avenida Sos Baynat, s/n, E-12071, Castellón, Spain
* Authors to whom correspondence should be addressed.
Received: 15 July 2011 / Revised: 15 August 2011 / Accepted: 19 August 2011 / Published: 22 August 2011
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Abstract

Large 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.
Keywords: peptides; alanylphenylalanyl derivative; crystal structure; hydrogen bond peptides; alanylphenylalanyl derivative; crystal structure; hydrogen bond
This is an open access article distributed under the Creative Commons Attribution License (CC BY 3.0).

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Alfonso, I.; Bolte, M.; Burguete, M.I.; Luis, S.V. Crystal Structure of the N-Benzyloxycarbonyl-alanyl-phenylalanyl-methyl Ester: The Importance of the H-Bonding Pattern. Crystals 2011, 1, 163-170.

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