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Updated: Jun 1, 2026

Preparation of Stable Bicyclic Aziridinium Ions and Their Ring-Opening for the Synthesis of Azaheterocycles
Published on: August 22, 2018
5-(3-Nitro-benz-yl)-1,3,4-thia-diazol-2-amine
Abstract:
In the title mol-ecule, C(9)H(8)N(4)O(2)S, the dihedral angle between the thia-diazole and benzene rings is 73.92 (8)° and the thia-diazole group S atom is orientated towards the benzene ring, the central S-C-C-C torsion angle being 45.44 (18)°. In the crystal, supra-molecular tapes mediated by N-H⋯N hydrogen bonds and comprising alternating eight-membered {⋯HNCN}(2) and 10-membered {⋯HNH⋯NN}(2) synthons are formed along [010]. The tapes are consolidated into a three-dimensional network by a combination of C-H⋯O, C-H⋯S and C-H⋯π inter-actions.
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