The crystal structure of α- glycylglycine

Biswas, A. B. ; Hughes, E. W. ; Sharma, B. D. ; Wilson, J. N. (1968) The crystal structure of α- glycylglycine Acta Crystallographica - Section B: Structural Crystallography & Crystal Chemistry, 24 . pp. 40-50. ISSN 0567-7408

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The cystal structure of the α crystal form of glycylglyeine, -CO2CH2NHCOCH2NH3+, has been investigted. The cell dimensions are a = 7·70, b = 9·57, c = 9·48 Å β = 124°35'. The space group is P21/a with four molecules per cell. Mo kα rays were used. The trial structure was derived by use of part-cell Patterson methods and modlfied Banerjee equations. Final refinement was by block-diagnol anisotropic least-squares adjustment to an R of 12·3 and yielded standard deviations of about 0·007Å in bond lengths.The intramolecular chemical bond lengths and interbond angles agree well with those found for the same molecule in the previously reported β crystal form but the configuration of the molecule is somewhat different. There is an angle of about 22·4° between the plane of the amide group and that of the carboxyl group. In the β crystal these group were coplanar within experimental error. Since the α form is probably the stable form, this distortion presumbly permits better molecular packing with stronger hydrogen bonds and van Waals interactions.

Item Type:Article
Source:Copyright of this article belongs to International Union of Crystallography.
ID Code:76620
Deposited On:25 Jun 2012 13:32
Last Modified:25 Jun 2012 13:32

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