M. A. Sridhar, N. K. Lokanath, D. Krishnegowda
1997
Citations
0
Influential Citations
5
Citations
Journal
Molecular Crystals and Liquid Crystals
Abstract
Abstract 4-isothiocyanatophenyl 4-pentylbicyclo[2,2,2]octane-1-carboxylate,C21H27O2NS is a nematogen containing an unusual eight membered ring in the rigid core. The compound crystallizes into the triclinic system P1 with a = 9.8969(1) A, b = 42.911(8) A, c = 9.877(2) A, a = 92.86(2)°, β = 103.79(1)°, -Γ = 94.43(1)°, V = 4051.3(1) A3, Z = 2. The data were collected using MoK a radiation (λ = 0.71073 A) at T = 300K. The structure was solved by direct methods using SHELXS-86 and refined to a final R and wR of 0.0688 and 0.1814 respectively using 2452 observed reflections with I > 2[sgrave](I). The structure shows a layered packing down α-axis and imbrication along the other two axes. The crystal structure throws light on the liquid crystalline behaviour of the compound.