Article thumbnail


By Shridhar I. Panchamukhi, Nikhath Fathima, I. M. Khazi and Noor Shahina Begum


In the title compound, C17H14N4S, the benzothieno moiety is fused at one end of the pyramidine ring while the triazole ring with a phenyl substituent is fused at the other side. The triazole ring is almost planar [maximum deviation = 0.0028 (3) Å] while the cyclo­hexane ring adopts a half-chair conformation. In the crystal, pairs of inter­molecular C—H⋯N hydrogen bonds form centrosymmetric head-to-head dimers, corresponding to an R 2 2(8) graph-set motif. Further C—H⋯N inter­actions generate a zigzag chain of mol­ecules along the c axis. The supra­molecular assembly is consolidated by π–π stacking inter­actions [centroid–centroid distance = 3.445 (4) Å]

Topics: Organic Papers
Publisher: International Union of Crystallography
OAI identifier:
Provided by: PubMed Central

To submit an update or takedown request for this paper, please submit an Update/Correction/Removal Request.

Suggested articles


  1. (1998). A unit cell packing of the title compound showing intermolecular interactions with dotted lines. H-atoms not involved in hydrogen bonding have been excluded. 2-Phenyl-8,9,10,11-tetrahydro-1- benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine Crystal data
  2. (2008). Bu ¨yu ¨kgu ¨ngo ¨r, O.
  3. Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) x y z Uiso*/Ueq
  4. (1981). organic compounds Acta Cryst.
  5. (1966). organic compounds o778 Panchamukhi et al. C17H14N4S Acta Cryst.
  6. (1998). SMART and SAINT-Plus.
  7. (2006). The triazole ring is essentially planar similar to those reported earlier