Unknown

Dataset Information

0

4-Benzyl-3-(thio-phen-2-yl)-4,5-di-hydro-1H-1,2,4-triazole-5-thione.


ABSTRACT: In the title compound, C13H11N3S2, the triazole and thio-phene rings are coplanar [dihedral angle = 6.22?(13)°]. By contrast, the phenyl ring is perpendicular to the triazole ring [dihedral angle = 85.58?(13)°], so that the mol-ecule has an L-shape. The thio-phene S atom is syn with the ring imine N atom. In the crystal, eight-membered {?HNCS}2 synthons form between centrosymmetrically related mol-ecules, leading to dimeric aggregates that are connected into a supra-molecular layer parallel to (101) by ?-? inter-actions between centrosymmetrically related triazole rings [centroid-centroid distance = 3.6091?(15)?Å] and C-H?? inter-actions.

PROVIDER: S-EPMC3648233 | BioStudies |

REPOSITORIES: biostudies

Similar Datasets

| S-EPMC3089255 | BioStudies
| S-EPMC3120366 | BioStudies
| S-EPMC4518970 | BioStudies
| S-EPMC2977695 | BioStudies
| S-EPMC4350717 | BioStudies
2013-01-01 | S-EPMC3647879 | BioStudies
| S-EPMC3239053 | BioStudies
2013-01-01 | S-EPMC3647839 | BioStudies
| S-EPMC3414944 | BioStudies
| S-EPMC2959973 | BioStudies