Kubono Koji, Tani Keita, Kashiwagi Yukiyasu, Tani Fumito, Matsumoto Taisuke
Osaka Kyoiku University, 4-698-1 Asahigaoka, Kashiwara, Osaka 582-8582, Japan.
Osaka Research Institute of Industrial Science and Technology, 1-6-50 Morinomiya, Joto-ku, Osaka 536-8553, Japan.
Acta Crystallogr E Crystallogr Commun. 2022 Apr 5;78(Pt 5):477-480. doi: 10.1107/S2056989022003383. eCollection 2022 May 1.
The title compound, CHN, is a carbazolophane, which is a cyclo-phane composed of two carbazole fragments. It has a planar chirality but crystallizes as a racemate in the space group . The mol-ecule adopts an -configuration, in which two carbazole fragments are partially overlapped. Both carbazole ring systems are slightly bent, with the C atoms at 3-positions showing the largest deviations from the mean planes. The dihedral angle between two carbazole fragments is 5.19 (3)°, allowing an intra-molecular slipped π-π inter-action [⋯ = 3.2514 (8) Å]. In the crystal, the mol-ecules are linked inter-molecular C-H⋯N hydrogen bonds and C-H⋯π inter-actions into a network sheet parallel to the plane. The mol-ecules of different sheets form other C-H⋯π inter-actions, thus forming a three-dimensional network.
标题化合物CHN是一种咔唑环芳,它是由两个咔唑片段组成的环芳。它具有平面手性,但以外消旋体形式结晶于空间群 中。分子采取 -构型,其中两个咔唑片段部分重叠。两个咔唑环系统都略有弯曲,3位的C原子偏离平均平面的程度最大。两个咔唑片段之间的二面角为5.19 (3)°,允许分子内滑动π-π相互作用[⋯ = 3.2514 (8) Å]。在晶体中,分子通过分子间C-H⋯N氢键和C-H⋯π相互作用连接成平行于 平面的网络片层。不同片层的分子形成其他C-H⋯π相互作用,从而形成三维网络。