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In the title compound, C13H9BrClNO, the dihedral angle between the substituted benzene rings is 44.25 (11)°. There are strong intramolecular O—H
N hydrogen bonds, which generate S(6) rings, and also intermolecular ClCl [3.431 (3) Å] and Br Br [3.846 (1) Å] contacts. The crystal packing a C—HO and C—Hπ interactions.
N hydrogen bonds, which generate S(6) rings, and also intermolecular ClCl [3.431 (3) Å] and Br Br [3.846 (1) Å] contacts. The crystal packing a C—HO and C—Hπ interactions.organic compoundsOpen access
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The title compound, C11H11ClN4OS, crystallizes with two molecules, A and B, in the asymmetric unit in which the dihedral angles between the triazole and benzene rings are 54.6 (3) and 56.0 (3)°. Both molecules feature an intramolecular O—HN hydrogen bond, which generates an S(6) ring. In the crystal, A–B dimers are linked by pairs of weak C—HS hydrogen bonds along with π–π stacking interactions between the triazole rings [centroid–centroid separations = 3.631 (3) and 3.981 (4)Å]. N—HS hydrogen bonds link the dimers into [100] chains, which feature R22(8) loops.
N hydrogen bond, which generates an S(6) ring. In the crystal, A–B dimers are linked by pairs of weak C—HS hydrogen bonds along with π–π stacking interactions between the triazole rings [centroid–centroid separations = 3.631 (3) and 3.981 (4)Å]. N—HS hydrogen bonds link the dimers into [100] chains, which feature R22(8) loops.organic compoundsOpen access
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The title compound, C11H11BrN4OS, crystallized as a racemic twin with two symmetry-independent molecules in the asymmetric unit. The dihedral angles between the benzene and triazole rings of the two independent molecules are 56.41 (18) and 54.48 (18)°. An intramolecular O—HN hydrogen bond occurs in each molecule. In the crystal, pairs of symmetry-independent molecules are linked by pairs of almost linear N—HS hydrogen bonds, forming cyclic dimers characterized by an R22(8) motif. There are weak π–π interactions between the benzene rings of symmetry-independent molecules, with a centroid–centroid distance of 3.874 (3) Å.
N hydrogen bond occurs in each molecule. In the crystal, pairs of symmetry-independent molecules are linked by pairs of almost linear N—HS hydrogen bonds, forming cyclic dimers characterized by an R22(8) motif. There are weak π–π interactions between the benzene rings of symmetry-independent molecules, with a centroid–centroid distance of 3.874 (3) Å.Keywords: crystal structure.
