Janzen Daron E, Kooyman Arianna M, Lange Kayla A
Department of Chemistry and Biochemistry, St Catherine University, St Paul, MN 55105, USA.
Acta Crystallogr Sect E Struct Rep Online. 2014 Nov 19;70(Pt 12):536-40. doi: 10.1107/S1600536814023988. eCollection 2014 Dec 1.
The title compounds, C36H28OP2S2, (1), and C36H28OP2Se2, (2), exhibit remarkably similar structures although they are not isomorphous. The whole mol-ecule of compound (2) is generated by twofold symmetry, with the ether O atom located on the twofold axis. Both compounds have intra-molecular π-π inter-actions between terminal phenyl rings with centroid-centroid distances of 3.6214 (16) and 3.8027 (14) Å in (1) and (2), respectively. In the crystal of (1), short C-H⋯S hydrogen bonds link the mol-ecules, forming chains along [001], while in (2) there are no analogous C-H⋯Se inter-actions present.
标题化合物C₃₆H₂₈OP₂S₂(1)和C₃₆H₂₈OP₂Se₂(2),尽管它们不是同构的,但具有非常相似的结构。化合物(2)的整个分子由二重对称性产生,醚O原子位于二重轴上。两种化合物在末端苯环之间都存在分子内π-π相互作用,(1)和(2)中质心间距分别为3.6214(16)Å和3.8027(14)Å。在(1)的晶体中,短的C-H⋯S氢键连接分子,沿[001]方向形成链,而在(2)中不存在类似的C-H⋯Se相互作用。