3,6-Diiodo-9H-carbazole

Abstract

In the title compound, C12H7I2N, the tricyclic aromatic ring system is essentially planar, with an r.m.s. deviation of 0.0272 Å. The two I atoms are marginally out of plane, with the C—I bonds angled at 3.9 (2) and 1.1 (2)° with respect to the planes of their respective benzene rings, above and below the plane of the carbazole ring system. No classical hydrogen bonds are observed in the crystal structure.

DFT and experimental studies on structure and spectroscopic parameters of 3,6-diiodo-9-ethyl-9H-carbazole

“…All geometric parameters for the newly synthesized diiodocarbazole derivative are in good agreement with values found in the crystal structure of the nonhalogenated 9-ethyl-9H-carbazole [62] and the other halogenated (3,6-diiodo-9H-carbazole) [63] (Table 3). The total root-meansquare (RMS) between our non-relativistic results and X-ray determinate geometry is 0.021 Å .…”

Halogen atom substitution effect on the carbazole fluorescence properties and supramolecular interactions in the solid-state

“…3d and S5†). 49 Cz-I-1 exhibited only weak C-H⋯π interactions and the molecules were arranged in parallel along the b -axis but with oblique angle orientation (Fig. 3d).…”

Crystal structure of tert-butyl 3,6-diiodocarbazole-9-carboxylate

“…Structure ECUNUM bears bromine atoms at the C5 and C11 positions with a phenylcarbamate group on the nitrogen atom (Duan et al, 2006). A derivative of compound I that bears two iodine atoms in the same positions and a hydrogen atom bonded to the nitrogen atom has been solved as structure YAYDUZ (Xie et al, 2012). Lastly, the di-iodo carbazole has been used as a ligand in a copper(I) complex as demonstrated by Kim and co-workers (ZASYUQ; Kim et al, 2017).…”