Wrobel Norma, Schollmeyer Dieter, Detert Heiner
University Mainz, Duesbergweg 10-14, 55099 Mainz, Germany.
Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o1249. doi: 10.1107/S1600536812012780. Epub 2012 Mar 31.
The title compound, C(32)H(31)N(3)O(4), was obtained in a Suzuki coupling of carbazole diboronic acid and bromo-nitro-benzene. In the crystal, the mol-ecule adopts a non-symmetric conformation. The carbazole ring system is approximately planar [maximum deviation from the least-squares plane = 0.039 (2) Å]. The planes of the carbazole unit and the benzene rings subtend dihedral angles of 48.42 (7) and 41.81 (6)°. The dihedral angles between the planes of the nitro-phenyl rings and the nitro groups are 44.34 (19) and 61.64 (15)°. The crystal is built from two strands of parallel mol-ecules with inter-digitated octyl chains. These strands are symmetry related by a twofold screw axis.
标题化合物C(32)H(31)N(3)O(4)是通过咔唑二硼酸与溴代硝基苯的铃木偶联反应得到的。在晶体中,分子采取非对称构象。咔唑环系统近似平面状[与最小二乘平面的最大偏差 = 0.039 (2) Å]。咔唑单元平面与苯环平面的二面角为48.42 (7)°和41.81 (6)°。硝基苯环平面与硝基之间的二面角为44.34 (19)°和61.64 (15)°。该晶体由两条平行分子链构成,其辛基链相互交错。这些链通过一个二重螺旋轴呈对称相关。