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用 Siemens P4四圆衍射仪,测得了1,4-二丙氧基-2,3-二氰基萘的晶体结构。晶体属单斜晶系,空间群为 C2/C。晶格参数 a=14.987(3)A,b=10.527(2),c=11.755(2),β=118.98°(3),晶胞体积 V=1622.4(6)3,Z=4,Dc=1.205Kg/m~3,μ(MoK_α)=0.079mm~(-1),F(000)=624,T=293(2)K_o晶体结构应用直接法,解出最后的偏离因子 R=0.0554[1425个Ⅰ≥2σ(Ⅰ)衍射点]。结构分析表明,萘环的1,4和2,3位碳原子上的氢原子分别被丙氧基和氰基所取代,由于取代基的引入使萘环的结构有所改变。
The crystal structure of 1,4-dipropoxy-2,3-dicyanonaphthalene was measured by Siemens P4 four-circle diffractometer. The crystal is monoclinic with space group C2 / C. The lattice parameters a = 14.987 (3) A, b = 10.527 (2), c = 11.755 (2), β = 118.98 ° (3), unit cell volume V = 1622.4 (6) 3, Z = 4, Dc = 1.205Kg / m ~ 3, μ (MoK_α) = 0.079mm -1, F (000) = 624, T = 293 (2) The crystal structure of K_o is solved by direct method, 1425 Ⅰ ≥ 2σ (Ⅰ) diffraction point]. Structural analysis showed that the hydrogen atoms on the 1,4 and 2,3 carbon atoms of naphthalene ring were replaced by propoxy and cyano, respectively. The structure of naphthalene ring was changed due to the introduction of substituents.