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 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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| 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): | 29.06.2012 |
| Date of first Publication: | 22.08.2011 |
| Publishing Institution: | Univ.-Bibliothek Frankfurt am Main |
| 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): |  Creative Commons - Namensnennung 3.0 |
