Crystal structure of the N-benzyloxycarbonyl-Alanyl-Phenylalanyl-methyl ester: the importance of the H-bonding pattern

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 methano
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.
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Metadaten
Author:Ignacio Alfonso, Michael Bolte, M. Isabel Burguete, Santiago V. Luis
URN:urn:nbn:de:hebis:30:3-245841
DOI:http://dx.doi.org/10.3390/cryst1030163
ISSN:2073-4352
Parent Title (English):Crystals : open access journal
Publisher:Molecular Diversity Preservation International (MDPI)
Place of publication:Basel
Document Type:Article
Language:English
Date of Publication (online):2012/06/29
Date of first Publication:2011/08/22
Publishing Institution:Univ.-Bibliothek Frankfurt am Main
Release Date:2012/06/29
Tag:alanylphenylalanyl derivative; crystal structure; hydrogen bond; peptides
Volume:1
Issue:3
Pagenumber:8
First Page:163
Last Page:170
HeBIS PPN:306604698
Institutes:Biochemie und Chemie
Dewey Decimal Classification:540 Chemie und zugeordnete Wissenschaften
Sammlungen:Universitätspublikationen
Licence (German):License LogoCreative Commons - Namensnennung 3.0

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