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

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

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...

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Bibliographic Details
Main Authors: Casey C. Raymond, Michael A. Knopp
Format: Article
Language:English
Published: International Union of Crystallography 2015-10-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
pyrazolol
tautomer
pyrazolone
macrocycle
O—H...N hydrogen bond
N—H...π interaction
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989015016746
Description
Summary: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.
ISSN:2056-9890

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