X-ray Structure of a 3,4-Dihydropyrrolo[1,2-b]pyridazine Derivative

Abstract

The X-ray structure of the compound dimethyl 2,7-dimethyl-pyrrolo[1,2-b]pyridazine-5,6-dicarboxylate was determined to establish the molecular geometry and conformation of its novel 6,5-bicyclic system. The compound crystallizes in the space group P21/n with a = 7.9910(2)A, b = 13.4005(3)A, c = 11.7950(3)A, β = 90.213(1)°, and Z = 4. A puckering analysis indicated a screw-boat conformation for the six-membered ring with the torsion angle C2-C3-C4-C5 having a magnitude of 34.5(2)°.