4-(4-Hydroxyphenyl)-2,2,4-trimethyl-7,8-benzothiachroman, a fused-ring counterpart of thia-Dianin's compound

Abstract

The title compound, C22H22OS [systematic name: 4-(1,3,3-trimethyl-2,3-dihydro-1H-4-thiaphenanthren-1-yl)phenol], crystallizes unsolvated from nitromethane as colourless prisms (m.p. 425–427 K) in the polar monoclinic space group Ia with Z′ = 2 (molecules A and B). Both independent molecules possess a very similar proximal conformation, this referring to the juxtaposition of the 4-hydroxyphenyl substituent with respect to the syn-related methyl group. In the crystal, molecule A is linked to molecule B by an O—H...O hydrogen bond. In turn, molecule B exhibits a weak O—H...π interaction with the phenolic group of molecule A related by a-glide symmetry. Together, these lead to [100] chains.

Keywords

• crystal structure
• thia-Dianin's compound
• hydrogen bonding