[1-(3-Chlorophenyl)-1H-1,2,3-triazol-4-yl]methanol hemihydrate

作者：Boechat Nuebia; Ferreira Maria de Lourdes G; Bastos Monica M; Wardell James L; Wardell Solange M S V; Tiekink Edward R T^*

来源：Acta Crystallographica Section E-Structure Reports Online, 2011, 67: O2934-U495.

DOI：10.1107/S1600536811041560

The asymmetric unit of the title hydrate, C9H8ClN3O center dot 0.5H(2)O, comprises two independent 1,2,3-triazole molecules and a water molecule of crystallization. The dihedral angles between the six-and five-membered rings in the 1,2,3-triazole molecules are 12.71 (19) and 17.3 (2)degrees. The most significant different between them is found in the relative orientations of the terminal CH2OH groups with one being close to perpendicular to the five-membered ring [N-C-C-O torsion angle = 82.2 (5)degrees], while in the other molecule, a notable deviation from a perpendicular disposition is found [torsion angle = -60.3 (5)degrees]. Supramolecular chains feature in the crystal packing sustained by O-H center dot center dot center dot(O,N) interactions along the a-axis direction. The chains are connected via C-H center dot center dot center dot N interactions and the resultant layers stack along the b axis.

• 出版日期2011-11