crystal structure of the n-benzyloxycarbonyl-alanyl-phenylalanyl-methyl ester the importance of the h-bonding pattern晶体结构的n-benzyloxycarbonyl-alanyl-phenylalanyl-methyl酯h-bonding模式的重要性.pdfVIP
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crystal structure of the n-benzyloxycarbonyl-alanyl-phenylalanyl-methyl ester the importance of the h-bonding pattern晶体结构的n-benzyloxycarbonyl-alanyl-phenylalanyl-methyl酯h-bonding模式的重要性
Crystals 2011, 1, 163-170; doi:10.3390/cryst1030163 OPEN ACCESS crystals ISSN 2073-4352 /journal/crystals Article Crystal Structure of the N-Benzyloxycarbonyl-alanyl- phenylalanyl-methyl Ester: The Importance of the H-Bonding Pattern Ignacio Alfonso 1,* , Michael Bolte 2, M. Isabel Burguete 3 and Santiago V. Luis 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 * Author to whom correspondence should be addressed; E-Mails: ignacio.alfonso@iqac.csic.es (I.A.); luiss@uji.es (S.V.L.); Tel.: +34 934006100 (I.A.); +34 964728239 (S.V.L.). Received: 15 July 2011; in revised form: 15 August 2011 / Accepted: 19 August 201 1 Published: 22 August 2011 Abstract: 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 P2 2 2 with unit cell dimensions a = 5.0655(6) Å, 1 1 1
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