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Structural and inhibition studies of mycobacterial branched-chain aminotransferases were performed with implications for drug design.
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In the title hydrate, C13H11N3O·H2O, the benzotriazole ring system is planar (r.m.s. deviation = 0.007 Å) and is almost orthogonal to the phenyl ring to which it is linked by a methylene group, forming a dihedral angle of 81.87 (15)°. In the crystal, molecules are linked into chains along [001] by O—H
O hydrogen bonds. The chains are consolidated into a three-dimensional architecture by C—HO, C—Hπ and π–π [centroid–centroid distance between the five- and six-membered rings of the benzotriazole ring system = 3.595 (3) Å] interactions.
O hydrogen bonds. The chains are consolidated into a three-dimensional architecture by C—HO, C—Hπ and π–π [centroid–centroid distance between the five- and six-membered rings of the benzotriazole ring system = 3.595 (3) Å] interactions.
