CRYSTAL STRUCTURE OF GLYCYLGLYCINE HYDROCHLORIDE
CRYSTAL STRUCTURE OF GLYCYLGLYCINE HYDROCHLORIDE
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DOI：
10.1107/s0567740869002482
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发表时间：
1969-01-01
期刊：
影响因子：
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通讯作者：
PARTHASARATHY, R
中科院分区：
文献类型：
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作者：
PARTHASARATHY, R
甘氨酰甘氨酸盐酸盐(C4N203H9)的晶体C1。H20)为单斜晶系，空间群为P21/c，晶胞内有四个分子。在22+3C下的晶胞参数为：a=8.813+0.003，b=9.755+0.005，c=9.788+0.003/~，fl=10~4“10+0-02(CuK~a=1.54051/~)。用Ge-XRD3型衍射仪，用固定晶体固定计数器的方法采集了三维强度数据，其极限为20=140。通过傅立叶变换和最小二乘法对结构进行了修正，最终的R值为0.065。晶体结构由氢键网络稳定。一个有趣的结构特征是出现了明显的分叉氢键，涉及末端氮原子上的三个氢原子中的每一个。研究发现，在所有这些分叉氢键中，氢原子通过施主原子和受主原子靠近平面。详细讨论了多肽的平面性和分子的构象。
Crystals of glycylglycine hydrochloride (C4N203H9. C1. H20) are monoclinic, space group P21/c with four molecules in the unit cell. The cell parameters at 22+ 3 C are: a= 8.813+ 0.003, b= 9.755+ 0.005, c= 9.788+ 0.003/~, fl= 104" 10+ 0-02 (Cu K~ a= 1.54051/~). Using a GE XRD-3 diffractometer, equipped with goniostat, three-dimensional intensity data were collected by the stationarycrystal stationary-counter method, to the limit 20= 140. The structure has been refined by Fourier and least-squares method to a final R value of 0.065. The crystal structure is stabilized by a network of hydrogen bonds. An interesting structural feature is the occurrence of apparently bifurcated hydrogen bonds, involving each of the three hydrogen atoms on the terminal nitrogen atom. It is found that in all these bifurcated hydrogen bonds, the hydrogen atom lies close to the plane through the donor and the two acceptor atoms. The planarity of the peptide and the conformation of the molecule are discussed in detail.