Crystal structure and Hirshfeld surface analysis of (Z)-N′-(4-meth­oxy­benzo[d]thia­zol-2-yl)-3,6-di-p-tolyl-1,2,4-triazine-5-carboximidamide

Abstract

The title mol­ecule, C₂₆H₂₂N₆OS, has a stable conformation due to two intra­molecular N—H⋯·N hydrogen bonds that produce fused S(5) and S(6) rings. Layers parallel to the (010) plane are formed in the crystal by inter­molecular C—H⋯O and C—H⋯N hydrogen bonding. Additionally, C—H⋯π and π–π [centroid-to-centroid distance = 3.7380 (12) Å] inter­actions link the mol­ecules, creating ribbons along the a-axis direction. The inter­molecular inter­actions were qu­anti­fied using Hirshfeld surface analysis and two-dimensional fingerprint plots, which revealed the relative contributions of H⋯H (48.6%), C⋯H/H⋯C (18.8%), and N⋯H/H⋯N (12.0%) contacts to the crystal packing.

The title mol­ecule, C₂₆H₂₂N₆OS, has a stable conformation due to two intra­molecular N—H⋯·N hydrogen bonds that produce fused S(5) and S(6) rings. Layers parallel to the (010) plane are formed in the crystal by inter­molecular C—H⋯O and C—H⋯N hydrogen bonding. Additionally, C—H⋯π and π–π [centroid-to-centroid distance = 3.7380 (12) Å] inter­actions link the mol­ecules, creating ribbons along the a-axis direction. The inter­molecular inter­actions were qu­anti­fied using Hirshfeld surface analysis and two-dimensional fingerprint plots, which revealed the relative contributions of H⋯H (48.6%), C⋯H/H⋯C (18.8%), and N⋯H/H⋯N (12.0%) contacts to the crystal packing.