Dutkiewicz Grzegorz, Yathirajan H S, Al-Arique Q N M Hakim, Narayana B, Kubicki Maciej
Acta Crystallogr Sect E Struct Rep Online. 2010 Jan 30;66(Pt 2):o497-8. doi: 10.1107/S1600536810003387.
The crystal structure of chloranilic acid, C(6)H(2)Cl(2)O(4), was first described by Andersen in 1967 [Andersen, E. K. (1967). Acta Cryst. 22, 188-191] at room temperature using visually estimated intensities. Taking into account the importance of the title compound, we have redetermined the structure at 100 (1) K. The approximately planar mol-ecule [the maximum deviation from the mean plane through the ring is 0.0014 (9) Å for the ring atoms and 0.029 (3) Å for the other atoms] occupies a special position, lying across the center of symmetry. In the crystal structure, a two-dimensional hydrogen-bonded network sustained by O-H⋯O inter-actions runs approximately parallel to [101]. The two-dimensional layers are further packed in a parallel fashion, stabilized by Cl⋯Cl inter-actions [Cl⋯Cl = 3.2838 (8) Å, C-Cl⋯Cl = 152.96 (6)°].
氯冉酸(C₆H₂Cl₂O₄)的晶体结构最早由安徒生于1967年描述[安徒生,E.K.(1967年)。《晶体学报》22卷,188 - 191页],当时是在室温下使用视觉估计强度进行的。考虑到该标题化合物的重要性,我们在100(1)K下重新测定了其结构。该近似平面分子[环原子与通过环的平均平面的最大偏差为0.0014(9)Å,其他原子为0.029(3)Å]占据一个特殊位置,位于对称中心。在晶体结构中,由O - H⋯O相互作用维持的二维氢键网络大致平行于[101]方向延伸。二维层以平行方式进一步堆积,通过Cl⋯Cl相互作用[Cl⋯Cl = 3.2838(8)Å,C - Cl⋯Cl = 152.96(6)°]得以稳定。