A. Jacobs, Marie L. Tangouna Liambo Bissa, J. H. Taljaard
Jun 19, 2015
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Journal
Journal of Chemical Crystallography
Abstract
The host compound 5-(4-methylphenyl)-5H-dibenzo[a,d]cyclohepten-5-ol (H) forms inclusion compounds with dimethylsulphoxide (DMSO), morpholine (MORP) and N-methyl-2-pyrrolidinone (NMP). The crystal structures and thermal stability for H·DMSO, H·NMP and H·MORP were determined. H·DMSO crystallised in the monoclinic space group P21/n with unit cell dimensions: a = 9.4447(19) Å, b = 17.289(4) Å, c = 12.261(3) Å, β = 92.42(3)°. H·NMP also crystallised in P21/n (a = 10.322(2) Å, b = 12.873(3) Å, c = 16.444(3) Å, β = 95.97(3)°). For H·MORP, the crystal structure solved in the triclinic space group $${\text{P}}\overline{ 1}$$P1¯, a = 10.353(2) Å, b = 13.924(3) Å, c = 15.182(3) Å, α = 86.51(3)°, β = 86.38(3)° and γ = 73.07(3)°. A crystal structure of the apohost (H1) was solved in $${\text{P}}\overline{ 1}$$P1¯ with unit cell dimensions: a = 9.4207(19) Å, b = 11.573(2) Å, c = 16.075(3) Å, α = 85.67(3)°, β = 79.73(3)° and γ = 67.49(3)°.Graphical AbstractThe host compound 5-(4-methylphenyl)-5H-dibenzo[a,d]cyclohepten-5-ol interacts with N-methyl-2-pyrrolidinone via O–H···O and C–H···π contacts.