Crystal and molecular structure of N‐α‐acetyl‐L‐arginine‐methyl ester hydrochloride
- 1 March 1984
- journal article
- Published by Wiley in International Journal of Peptide and Protein Research
- Vol. 23 (3) , 242-247
- https://doi.org/10.1111/j.1399-3011.1984.tb02716.x
Abstract
The crystal structure of N‐α‐acetyl‐L‐arginine‐methyl ester hydrochloride has been determined from X‐ray diffraction data. The crystals are orthorhombic, space group P212121, a = 15.746 (4), b = 11.569 (4), c = 7.158 (3) Å, Z = 4. The structure was solved by direct methods (MULTAN) and refined by fullmatrix least‐squares to an R = 0.070 for all observed reflections. The molecule shows a planar peptidic unit, with a distortion of H(N1) due to hydrogen bond interaction. The side chain is in the low energy all‐trans conformation. The guanidinium group forms three hydrogen bonds with the carbonyl oxygens of two neighbouring molecules. A direct interaction of the peptidic NH with the chloride ions is observed. The latter ions also interact with the guanidinium groups, neutralizing their charges.Keywords
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