Schutte M, Pretorius C, Visser H G, Roodt A
Department of Chemistry, University of the Free State, PO Box 339, Bloemfontein, 9301, South Africa.
Acta Crystallogr Sect E Struct Rep Online. 2012 Dec 1;68(Pt 12):o3472. doi: 10.1107/S1600536812044297. Epub 2012 Nov 28.
THE TITLE COMPOUND [SYSTEMATIC NAME: 5-(trifluoro-meth-oxy)-1H-indole-2,3-dione], C9H4F3NO3, crystallized with two mol-ecules in the asymmetric unit. Inter-molecular N-H⋯O hydrogen bonds link the mol-ecules to form layers parallel to the ab plane. In addition, π-π stacking inter-actions are observed with a centroid-centroid distance of 3.721 (1) Å. The near planarity of the two isatin ring systems is illustrated by by the maximum deviations of 0.023 (1) and 0.025 (1) Å for the N atom in each case.
标题化合物[系统名称:5-(三氟甲氧基)-1H-吲哚-2,3-二酮],化学式为C9H4F3NO3,在不对称单元中含有两个分子。分子间的N-H⋯O氢键将分子连接起来,形成平行于ab平面的层。此外,观察到π-π堆积相互作用,质心-质心距离为3.721 (1) Å。两个异吲哚酮环系统的近乎平面性分别由每个N原子的最大偏差0.023 (1)和0.025 (1) Å来说明。