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通过X射线衍射测定了标题化合物(C_6H_8N_(10)O_(14))的晶体结构。该晶体属于单斜晶系,空间群为P2_1/n,a=5.898(2)(?),b=11.761(4)(?),c=12.055(3)(?),β=98.48(2)°,V=827.0(4)(?)~3和Z=2。该晶体结构用直接法测定,然后用块矩阵最小二乘法进行修正。最后,一致性因子R=0.074,所用的F/σ(F)≥2.5的独立反射是986个。分子具有对称中心,亚硝基上氧是无序的,硝仿基的C—N键平均键长为1.52(?)。
The crystal structure of the title compound (C_6H_8N_ (10) O_ (14)) was determined by X-ray diffraction. The crystal belongs to the monoclinic system with space group P2_1 / n, a = 5.898 (2) (?), B = 11.761 (4) ?, c = 12.055 (3) ) °, V = 827.0 (4) (?) ~ 3 and Z = 2. The crystal structure was determined by direct method and then corrected by block matrix least square method. Finally, the concordance factor R = 0.074 and the independent reflections used for F / σ (F) ≥ 2.5 were 986. The molecule has a center of symmetry, the oxygen on the nitroso is disordered, and the average bond length of the C-N bond of the nitroimino group is 1.52 (?).