Crystal Structure of 4-Isonicotinoyl Coumarin

Abstract

The structure of 4-isonicotinoylcoumarin was determine by X-ray crystallography. A symmetry operation (-x+2, -y+1, -z) generates the whole molecule. The compound crystallized in a monoclinic system, and was characterized thus: P2₁/c, a = 7.8507(16), b = 16.361(3), c = 9.826(2)Å, β = 107.13(3)°, Z = 4, V = 1206.2(4)ų. The crystal structure was solved by direct methods and refined by full-matrix least-squares on F² to final values of R1 = 0.0568 and wR2 = 0.0926.