Crystal structure of 2-Se-(2-methyl-2-propenyl)-1-benzoic acid.
C11H12O2Se is triclinic, P1. Unit-cell dimensions at 293 K are a = 5.8450(10), b = 8.1490(10), c = 11.4620(10)A, alpha = 97.050(10), beta = 90.140(10), gamma = 90.120(10) degrees, V = 541.81(12)A3, Dx = 1.564 g/cm3, and Z = 2. The R value is 0.047 for 1388 observed reflections. The dihedral angle between the phenyl ring and the isobutenyl group is 72.3(2) degrees. There is an intermolecular hydrogen bond between two symmetry-related carbonyl groups with an O1...O2 distance of 2.669(6)A. The molecules in the crystal are packed at normal van der Waals distances.
Martínez Ramos
Federico
F
Departamento de Química Inorgánica, Escuela Nacional de Ciencias Biológicas, I. P. N. Prolongación Carpió y Plan de Ayala 11340, México DF, México.
Soriano-García
Manuel
M