Peters Morten K, Näther Christian, Herges Rainer
Otto-Diels-Institut für Anorganische Chemie, Christian-Albrechts-Universität Kiel, Otto-Hahn-Platz 4, D-24098 Kiel, Germany.
Institut für Anorganische Chemie, Christian-Albrechts-Universität Kiel, Max-Eyth Str. 2, D-24118 Kiel, Germany.
Acta Crystallogr E Crystallogr Commun. 2018 Jun 26;74(Pt 7):1013-1016. doi: 10.1107/S2056989018008605. eCollection 2018 Jul 1.
The crystal structure of the title compound, CHN, comprises mol-ecules in a conformation for which all the atoms are located in general positions. The six-membered rings are coplanar and this arrangement might be stabilized by intra-molecular N-H⋯N hydrogen bonding. In the crystal, the mol-ecules are linked into helical chains parallel to the axis N-H⋯N hydrogen bonding. The mol-ecular packing shows a herringbone-like pattern along the axis. Comparison of the X-ray powder diffraction with that calculated from single crystal data proves that a pure crystalline phase was obtained and UV-Vis measurements reveal that only the isomer is present.
标题化合物CHN的晶体结构由处于一种构象的分子组成，其中所有原子均位于一般位置。六元环是共面的，这种排列可能通过分子内N-H⋯N氢键得到稳定。在晶体中，分子通过N-H⋯N氢键连接成平行于轴的螺旋链。分子堆积沿轴呈现出类似鲱鱼骨的图案。将X射线粉末衍射与从单晶数据计算得到的结果进行比较，证明获得了纯晶相，紫外-可见光谱测量表明仅存在异构体。
