Crystal structure of 2-selenobenzyl-1-benzoic acid.
C14H12O2Se is monoclinic, P2(1)/c. Unit-cell dimensions at 293 K are a = 8.1055(7), b = 5.8403(11), c = 26.0302(17)A, beta = 94.560(5) degrees, V = 1228.3(3)A3, Dx = 1.575 g/cm3, and Z = 4. The R value is 0.048 for 2144 observed reflections. The dihedral angle between the phenyl rings is 74.9(2)degrees. There is an intermolecular hydrogen bond between two symmetry related carboxyl groups with an O1-O2 distance of 2.668(6)A. The molecules in the crystal are packed at normal van der Waals distances.
D001565:Benzoates / Q000737:chemistry*; D018360:Crystallography, X-Ray; D016166:Free Radical Scavengers / Q000737:chemistry*; D006860:Hydrogen Bonding; D015394:Molecular Structure; D018036:Selenium Compounds / Q000737:chemistry*
C481305:2-selenobenzyl-1-benzoic acid; D001565:Benzoates; D016166:Free Radical Scavengers; D018036:Selenium Compounds