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Updated: May 28, 2025

Synthesis of a Thiol Building Block for the Crystallization of a Semiconducting Gyroidal Metal-sulfur Framework
Published on: April 9, 2018
Synthesis and crystal structure analysis of 1-ethyl-1,3-di-hydro-2H-benzo[d]imidazole-2-thione
Atash V Gurbanov1,2, Firudin I Guseinov2,3, Aida I Samigullina3
1Excellence Center, Baku State University, Z. Xalilov Str. 23, AZ 1148 Baku, Azerbaijan.
Abstract:
The asymmetric unit of the title compound, C9H10N2S, contains two crystallographically independent, almost planar, mol-ecules. In the crystal, inter-mole-cular N-H⋯S hydrogen bonds link the mol-ecules into pseudocentrosymmetric dimers, enclosing R 2 2(8) ring motifs. There are mutual π-π inter-actions between the five- and six-membered rings of each independent mol-ecule in the chosen asymmetric unit, with ring centroid-to-centroid distances of 3.6685 (12) and 3.7062 (12) Å. A weak C-H⋯π(ring) inter-action is also observed. The N-H⋯S hydrogen bonds, the π-π inter-actions and the weak C-H⋯π(ring) inter-action are effective in the stabilization of the crystal structure. The structure was refined as an inversion twin with a component occupancy ratio of 0.546 (15):0.454 (16).
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