Synthesis and crystal structure analysis of 1-ethyl-1,3-dihydro-2<i>H</i>-benzo[<i>d</i>]imidazole-2-thione
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.81, pp.169-171, 2025 (ESCI, Scopus)
- Publication Type: Article / Article
- Volume: 81
- Publication Date: 2025
- Doi Number: 10.1107/s2056989025000519
- Journal Name: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
- Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
- Page Numbers: pp.169-171
- Open Archive Collection: AVESIS Open Access Collection
- Hacettepe University Affiliated: Yes
Abstract
The asymmetric unit of the title compound, C9H10N2S, contains two crystallographically independent, almost planar, molecules. In the crystal, intermolecular N-H center dot center dot center dot S hydrogen bonds link the molecules into pseudocentrosymmetric dimers, enclosing R-2(2)(8) ring motifs. There are mutual pi-pi interactions between the five- and six-membered rings of each independent molecule in the chosen asymmetric unit, with ring centroid-to-centroid distances of 3.6685 (12) and 3.7062 (12) angstrom degrees. A weak C-H center dot center dot center dot pi (ring) interaction is also observed. The N-H center dot center dot center dot S hydrogen bonds, the pi-pi interactions and the weak C-H center dot center dot center dot pi (ring) interaction 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).