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Preparation of Stable Bicyclic Aziridinium Ions and Their Ring-Opening for the Synthesis of Azaheterocycles
Published on: August 22, 2018
Crystal structure and Hirshfeld surface analysis of
Yaroslav K Shtaitz1,2, Dmitry S Kopchuk1,2,3, Vasiliy S Gaviko1,4
1The Ural Federal University named after the first president of Russia B N Yeltsin Mira 19 st 620002 Yekaterinburg Russian Federation.
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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