The structure at 198 K of (1R,5R,15R,16R)-5-isopropenyl-2-methyl- 1-[N-(trans-2-phenylcyclohexyloxycarbonyl)amino]-2-cyclohexene.
trans-2-Phenylcyclohexyl N-(5-isopropenyl-2-methyl-2-cyclohexan-1-yl) carbamate, C23H31NO2, Mr = 353.50, orthorhombic, P2(1)2(1)2(1), a = 8.813 (2), b = 9.043 (2), c = 25.643 (5) A, V = 2043.6 (8) A3, Z = 4, Dx = 1.15 g cm-3 (198 K), Mo K alpha radiation, lambda = 0.7107 A, mu = 0.6734 cm-1, F(000) = 768, T = 198 K, R = 0.0547 for 1772 reflections [Fo greater than or equal to 4 sigma(Fo)]. Molecules are H-bonded into infinite columns parallel to a. The H bond involves the NH group and the carbonyl O atom of the carbamate moiety with relevant parameters: N11-H11...O13 (related by 1/2 + x, 1/2 - y, - z); N...O 2.910 (5), H...O 2.11 (5) A, N-H...O 159 (4) degrees.
Department of Chemistry and Biochemistry, University of Texas, Austin 78712.
V M
VM
Lynch
H K
HK
Yaser
J K
JK
Whitesell
B E
BE
Davis
D003510:Cyclohexanes / Q000737:chemistry*; D053138:Cyclohexenes; D008968:Molecular Conformation; D015394:Molecular Structure; D014961:X-Ray Diffraction
D003510:Cyclohexanes; D053138:Cyclohexenes; C071571:5-isopropenyl-2-methyl-1-(N-(2-phenylcyclohexyloxycarbonyl)amino)-2-cyclohexene