Synthesis and crystal structure analysis of 1-ethyl-1,3-dihydro-2H-benzo[d]imidazole-2-thione
The asymmetric unit of the title compound, C9H10N2S, contains two crystallographically independent, almost planar, molecules. In the crystal, intermolecular N—H...S hydrogen bonds link the molecules into pseudocentrosymmetric dimers, enclosing R22(8) ring motifs. There are mutual π–π interactions be...
Saved in:
| Main Authors: | , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2025-02-01
|
| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | https://journals.iucr.org/paper?S2056989025000519 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| Summary: | The asymmetric unit of the title compound, C9H10N2S, contains two crystallographically independent, almost planar, molecules. In the crystal, intermolecular N—H...S hydrogen bonds link the molecules into pseudocentrosymmetric dimers, enclosing R22(8) ring motifs. There are mutual π–π 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) Å. A weak C—H...π(ring) interaction is also observed. The N—H...S hydrogen bonds, the π–π interactions and the weak C—H...π(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). |
|---|---|
| ISSN: | 2056-9890 |