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By Li-Li Zhang, Kai Yu, Ling-Ling Liu and Dian-Shun Guo


In the title compound, C11H13N3O2, the 1,2,3-triazole ring and the phenol ring form a dihedral angle of 55.46 (5)°. In the crystal, inversion-related mol­ecules associate through pairs of hy­droxy–phenol O—H⋯O hydrogen bonds, giving centrosymmetric cyclic dimers [graph set R 2 2(18)]. These dimers are linked into infinite chains along [001], giving an overall two-dimensional network structure parallel to the bc plane through hy­droxy O—H⋯N and triazole C—H⋯N hydrogen bonds

Topics: Organic Papers
Publisher: International Union of Crystallography
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Provided by: PubMed Central
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    1. (2006). Acta Cryst. E62, o3591–o3593. organic compounds o1262 Zhang et al. doi:10.1107/S1600536812012925 Acta Cryst.
    2. (2010). Dalton Trans.
    3. Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) xyz U iso*/Ueq
    4. (2006). The title compound, shown in Fig. 1, contains a 1,2,3-triazole ring and a phenol ring which are non-coplanar with a dihedral angle of 55.46 (5)°, larger than that reported previously for a similar structure [14.34 (17)°] (Zou et al.,
    5. (2005). This difference may be ascribed to the steric repulsion between the heterocyclic N atom, N2, and the phenolic hydroxyl oxygen atom, O2. The bond lengths of C7—N1,

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