3,7-dibromohinokitiol: a redetermination.
The structure of the title compound (systematic name: 3,7-dibromo-2-hydroxy-6-isopropylcyclohepta-2,4,6-trien-1-one), C(10)H(10)Br(2)O(2), previously described by Ito, Fukazawa & Iitaka [Tetrahedron Lett. (1972), 13, 745-749], has been redetermined. Strong inter- and intramolecular hydrogen bonds, with H.O distances of 2.17 (9) and 2.06 (6) A, respectively, are observed. There are also two short Br...Br and two short Br.(ring centroid) interactions. Important dimensions include C--O(carbonyl) = 1.252 (5) A, C--O(hydroxyl) = 1.355 (5) A, C-Br(3-position) = 1.904 (4) A and C--Br(7-position) = 1.905 (4) A, and an O--C--C--O ring torsion angle of -6.7 (6) degrees.
Steyl
Gideon
G
Department of Chemistry and Biochemistry, Rand Afrikaans University, Johannesburg 2006, South Africa.
Roodt
Andreas
A