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Updated: May 26, 2026

Preparation of Stable Bicyclic Aziridinium Ions and Their Ring-Opening for the Synthesis of Azaheterocycles
Published on: August 22, 2018
[1-(3-Chloro-phen-yl)-1H-1,2,3-triazol-4-yl]methanol hemihydrate
Abstract:
The asymmetric unit of the title hydrate, C(9)H(8)ClN(3)O·0.5H(2)O, comprises two independent 1,2,3-triazole mol-ecules and a water mol-ecule of crystallization. The dihedral angles between the six- and five-membered rings in the 1,2,3-triazole mol-ecules are 12.71 (19) and 17.3 (2)°. The most significant different between them is found in the relative orientations of the terminal CH(2)OH groups with one being close to perpendicular to the five-membered ring [N-C-C-O torsion angle = 82.2 (5)°], while in the other mol-ecule, a notable deviation from a perpendicular disposition is found [torsion angle = -60.3 (5)°]. Supra-molecular chains feature in the crystal packing sustained by O-H⋯(O,N) inter-actions along the a-axis direction. The chains are connected via C-H⋯N inter-actions and the resultant layers stack along the b axis.
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