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- W2313663167 abstract "The crystal structures of 4-FCH 2 -1-(4-X-phenyl)-tnazole (1: X = Cl, Br and CN) and 4-HOCH2-1-(4-X-phenyl)-triazole (2: X = Cl, Br and CN) are reported. Each of the pairs, (1: X = Cl) and (1: X = Br) and (2: X = Cl) and (2: X = Br), are isostructural. There are no strong intermolecular interactions in any of the compounds 1. Present in (1: X = CN), are C―H···N, C―H···F and C―H···π hydrogen bonds, and π···π stacking interactions, while in (2: X = Cl and Br) present are C―H···N, C―H···F and C―X···π, hydrogen bonds, with resulting different supramolecular arrays produced for the halo, on one hand, and cyano derivatives, on the other. The hydroxyl-triazole nitrogen interactions in 2 are the strongest intermolecular interactions present in 2. In the case of (2: X = Cl and Br), augmenting this strong O―H···N hydrogen bond with a weaker C―H···O hydrogen bond results in a [C(6)R 2 2 (10)] chain of molecules propagated head-to-tail along the b axis. In contrast, this strong O―H···N hydrogen bond in (2: X = CN), now augmented by C―H···N(cyano nitrogen), results in a chain of molecules, [C(19)R 2 2 (10)R 2 2 (10)]. Further weaker intermolecular interactions of the types, C―H···N and C―H···O hydrogen bonds and π···π stacking interactions for (2: X = CN), and of the types, C―H···O and C―X···π hydrogen bonds, and π··· π stacking interactions for (2: X = Cl and Br) generate significantly different supramolecular arrays." @default.
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- W2313663167 date "2012-06-01" @default.
- W2313663167 modified "2023-10-03" @default.
- W2313663167 title "Structures of 1-(substituted-phenyl)-4-hydroxymethyl- and -4-fluoromethyl-1,2,3-triazoles" @default.
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- W2313663167 doi "https://doi.org/10.1524/zkri.2012.1481" @default.
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