N-苯甲酰-L-精氨酰胺的晶体结构

CRYSTAL STRUCTURE OF N-α-BENZOYL-L-ARGININE ETHYL-ESTER

在水热条件下得到N-苯甲酰-L-精氨酰胺单晶,并用X射线衍射测定其晶体结构,化合物属单斜晶系,空间群为P21/n,分子式C13H20N5O2,Mr=278.34,晶胞参数:a=0.92838(15)nm,b=0.97000(16)nm,c=1.4836(2)nm,β=90.411(3)°,V=1.3360(4)nm3,Z=4,Dc=1.384g/cm3,R1=0.0596,wR2=0.1932,化合物分子通过氢键形成三维结构.

The single crystal of the compound N-α-benzoyl-L-arginine ethyl-ester has been obtained by hydrothermal reaction.Its structure has been determined by X-ray diffraction method.The crystal crystallize in monoclinic system,space group P2_1/n with C_(13)H_(20)N_5O_2,M_r=278.34,cell parameters:a=(0.928 38(15)) nm,b=0.970 00(16) nm,c=1.483 6(2) nm,β=90.411(3)°,V=1.336 0(4) nm^3,Z=4,D_c=1.384 g/cm^3,R_1=0.059 6,wR_2=0.193 2.The molecules are formed to be a 3-D network through hydrogen bond.