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4-[Tris(1H-pyrazol-1-yl)meth-yl]phenol.

ABSTRACT: The title compound, C(16)H(14)N(6)O, was prepared by the condensation of 4-(trifluoro-meth-yl)phenol and sodium pyrazol-1-ide in a yield of 58%. The dihedral angles formed by the planes of the pyrazole rings are 50.7?(2), 71.2?(3) and 95.8?(2)°. The mol-ecules are associated into dimers by pairs of inter-molecular O-H?N hydrogen bonds involving the hy-droxy groups and pyrazole N atoms. In addition, ?-? stacking between the phenol rings of these inversion-related dimers is observed, with a ring centroid-to-centroid distance of 3.9247?(10)?Å.

SUBMITTER: Chen XY

PROVIDER: S-EPMC3247439 | biostudies-other | 2011 Nov

REPOSITORIES: biostudies-other

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4-[Tris(1H-pyrazol-1-yl)meth-yl]phenol.

Chen Xiao-Yan XY Yang Xiaoping X Holliday Bradley J BJ

Acta crystallographica. Section E, Structure reports online 20111029 Pt 11

The title compound, C(16)H(14)N(6)O, was prepared by the condensation of 4-(trifluoro-meth-yl)phenol and sodium pyrazol-1-ide in a yield of 58%. The dihedral angles formed by the planes of the pyrazole rings are 50.7 (2), 71.2 (3) and 95.8 (2)°. The mol-ecules are associated into dimers by pairs of inter-molecular O-H⋯N hydrogen bonds involving the hy-droxy groups and pyrazole N atoms. In addition, π-π stacking between the phenol rings of these inversion-related dimers is observed, with a ring c ...[more]

PMID: 22220057

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