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◆ Acta crystallographica. Section E, Crystallographic communications2026-09-01

Crystal structure and Hirshfeld surface analysis of (Z)-N'-(4-meth-oxy-benzo[d]thia-zol-2-yl)-3,6-di-p-tolyl-1,2,4-triazine-5-carboximidamide.

Yaroslav K Shtaitz, Dmitry S Kopchuk, Vasiliy S Gaviko, Nizami A Ekberov, Mehmet Akkurt, Gizachew Mulugeta Manahelohe, Khudayar I Hasanov

原始摘要(英文原文)· Original abstract
The title mol-ecule, C26H22N6OS, has a stable conformation due to two intra-molecular 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 inter-molecular C-H⋯O and C-H⋯N hydrogen bonding. Additionally, C-H⋯π and π-π [centroid-to-centroid distance = 3.7380 (12) Å] inter-actions link the mol-ecules, creating ribbons along the a-axis direction. The inter-molecular inter-actions were qu-anti-fied 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.
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Crystal structure and Hirshfeld surface analysis of (Z)-N'-(4-meth-oxy-benzo[d]thia-zol-2-yl)-3,6-di-p-tolyl-1,2,4-triazine-5-carboximidamide. — 科研速览 Science Skim