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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 which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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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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