Abstract
The X-ray crystal structure of (2'Z)-5-acetamidoindirubin, a potent synthetic inhibitor of CDKs (CDK1 and CDK5) and GSK-3, was established. It crystallizes in the orthorhombic space group Pna21 with cell parameters a = 20.1521(10)Å, b = 15.3072(7)Å, c = 4.6548(3)Å, V = 1435.88(13)Å3 and Z = 4. The crystal structure was refined to final values of R1 = 0.0573 and wR2 = 0.1376. An X-ray crystal structure analysis revealed that each molecule features intra- and intermolecular N-H…O hydrogen bonds.
