Celik, IsmailErsanli, Cem CuneytAkkurt, MehmetAksit, HuseyinErenler, Ramazan2019-07-272019-07-282019-07-272019-07-2820162147-1762https://hdl.handle.net/20.500.12418/7485In the title compound, C10H18O2, the cyclohexene ring adopts a half-chair conformation. In the crystal strcuture, weak inter(sic)molecular O-H center dot center dot center dot O hydrogen bonds connect the adjacent molecules, forming edge-fused R23(8) ring motifs, into the hollow columns parallel to the b-axis direction. The crystal packing is governed only by van der Waals inter(sic)actions. There is no further C-H center dot center dot center dot pi and pi-pi interactions. The H atom in one of two hydroxyl groups was found to be disordered over two sites. The occupancy factors of the two sites were refined to 0.52 (2) and 0.48 (2). Semi-empirical PM3 quantum chemical calculations are in satisfactory agreement with the results of the X-ray structure analysis.eninfo:eu-repo/semantics/closedAccessCrystal structurecyclohexene ring2-methyl-5-(propan-2-yl)cyclohex-2-ene-1,4-diolsemi-empirical PM3 quantum chemical calculationsHOMO and LUMO energy levelsArticle294957953WOS:000393128900025N/A