Crystal structure of 1,4,5,6,7,8,9,10,11,12,13-undecahydrocyclododeca[c]pyrazol-3-ol

Abstract

The title compound, C13H22N2O, crystallized as a pyrazolol tautomer. The 12-membered macrocycle has a distorted chair conformation. In the crystal, molecules are linked via pairs of O—H...N hydrogen bonds, forming inversion dimers. The dimers are linked via N—H...π and C—H...π interactions, forming slabs parallel to the bc plane.

Keywords

• crystal structure
• pyrazolol
• tautomer
• pyrazolone
• macrocycle
• O—H...N hydrogen bond
• N—H...π interaction