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In the crystal structure of the title compoud, C14H18BrNO4, molecules are linked by a strong O—H
O hydrogen bond and weaker C—HO interactions. The benzene ring makes dihedral angles of 3.67 (3) and 72.63 (3)° with the carboxylic acid group and the nitro group, respectively.
O hydrogen bond and weaker C—HO interactions. The benzene ring makes dihedral angles of 3.67 (3) and 72.63 (3)° with the carboxylic acid group and the nitro group, respectively.data reportsOpen access
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In the title compound, C9H9N3OS, the plane of the benzene ring forms a dihedral angle of 33.40 (5)° with that of the triazole group. In the crystal, molecules are linked by O—HN hydrogen bonds involving the phenol –OH group and one of the unsubstituted N atoms of the triazole ring, resulting in chains along [010]. These chains are further extended into a layer parallel to (001) by weak C—HN hydrogen-bond interactions. Aromatic π–π stacking [centroid–centroid separation = 3.556 (1) Å] between the triazole rings links the layers into a three-dimensional network.
N hydrogen bonds involving the phenol –OH group and one of the unsubstituted N atoms of the triazole ring, resulting in chains along [010]. These chains are further extended into a layer parallel to (001) by weak C—HN hydrogen-bond interactions. Aromatic π–π stacking [centroid–centroid separation = 3.556 (1) Å] between the triazole rings links the layers into a three-dimensional network.
