Celik, IsmailErsanli, Cem CüneytAkkurt, MehmetAksit, HüseyinErenler, Ramazan2024-10-262024-10-2620162147-1762https://hdl.handle.net/20.500.12418/27234In the title compound, C10H18O2, the cyclohexene ring adopts a half-chair conformation. In the crystal strcuture, weak intermolecular O—H··· 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 interactions. There is no further C—H···? and ?-? 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. © 2016, Gazi University Eti Mahallesi. All rights reserved.eninfo:eu-repo/semantics/closedAccess2-methyl-5-(propan-2-yl)cyclohex-2-ene-1, 4-diol; Crystal structure; Cyclohexene ring; HOMO and LUMO energy levels; Semi-empirical PM3 quantum chemical calculationsArticle2949579532-s2.0-85006741830Q3