Crystal structure of 2-[5-(2-hydroxyphenyl)-1-phenyl-1H-1,2,4-triazol- 3-yl]phenol, C20H15N3O2

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3-Phenyl-1H-1,2,4-triazol-5-amine–5-phenyl-1H-1,2,4-triazol-3-amine (1/1)

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In the title compound, C(23)H(20)N(4)OS, the two phenyl rings of the diphenyl-propanone fragment form a dihedral angle of 86.8 (1)°, and the third phenyl ring attached to the triazole ring is twisted from the latter at 40.1 (1)°. In the crystal, mol-ecules are paired into centrosymmetric dimers via pairs of inter-molecular N-H⋯O and N-H⋯S hydrogen bonds.

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The title compound, C16H16N4O2, crystallizes with two mol-ecules in the asymmetric unit, one of which shows disorder of the acetate group over two sets of sites in a 0.799 (2):0.201 (2) ratio. The phenyl group has a similar but opposite sense of twist relative to the pyrazole ring in the two mol-ecules, as indicated by the syn N-N-Car-Car (ar = aromatic) torsion angles of 39.7 (2) and -36.9 (2)...

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ژورنال

عنوان ژورنال: Zeitschrift für Kristallographie - New Crystal Structures

سال: 2001

ISSN: 2197-4578,1433-7266

DOI: 10.1524/ncrs.2001.216.14.113