Du L, Hossain M B, Ji X, van der Helm D, Magarian R A, Day B W
Department of Chemistry and Biochemistry, University of Oklahoma, Norman 73019.
Acta Crystallogr C. 1992 May 15;48 ( Pt 5):887-91. doi: 10.1107/s0108270191011186.
C22H18Cl2O, M(r) = 369.3, monoclinic, P2(1)/a, a = 16.585(1), b = 17.328(1), c = 13.192(3) A, beta = 107.443(8) degrees, V = 3616.8 A3, Z = 8, Dx = 1.356 g cm-3, lambda(Mo K alpha) = 0.71069 A, mu = 3.2 cm-1, F(000) = 1536, T = 138 K, R = 0.039 for 5450 observed reflections. The structural features of the two independent molecules are quite similar except in the orientation of the methoxy group. The cyclopropane ring shows the expected bond-length asymmetry with C(2)-C(3) as the longest bond. The two cis-arranged phenyl rings adopt similar conformations as observed in diaryl-cyclopropanes, with one ring in the bisecting position and the other near the perpendicular position. The conformation of the third aryl ring is also near the perpendicular position. The overall conformation of the three aryl rings is different from the helical propeller conformation consistently observed in tamoxifen and all other known tri(tetra)aryl-vinyl systems.
C22H18Cl2O，M(r)=369.3，单斜晶系，P2(1)/a，a = 16.585(1)，b = 17.328(1)，c = 13.192(3) Å，β = 107.443(8)°，V = 3616.8 ų，Z = 8，Dx = 1.356 g cm⁻³，λ(Mo Kα)= 0.71069 Å，μ = 3.2 cm⁻¹，F(000)= 1536，T = 138 K，对5450个观测反射的R = 0.039。除甲氧基的取向外，两个独立分子的结构特征非常相似。环丙烷环呈现出预期的键长不对称性，C(2)-C(3)为最长键。两个顺式排列的苯环采取与二芳基环丙烷中观察到的类似构象，一个环处于平分位置，另一个接近垂直位置。第三个芳基环的构象也接近垂直位置。三个芳基环的整体构象不同于在他莫昔芬和所有其他已知的三（四）芳基乙烯基体系中一致观察到的螺旋桨构象。
