Crystal Structure of 1,9-Dibromo-5-phenyldipyrrin, Tetrapyrrole Synthesis Derivative and Free Base Ligand of BODIPY Building Blocks

Abstract

A free base ligand of a BODIPY building block, 1,9-dibromo-5-phenyldipyrrin (2), was synthesized. The crystal structure was determined by the single crustal X-ray diffraction method at 293 K. The compound crystallizes in a monoclinic system and was characterized as follows: P2₁/c, a = 9.94150(10), b = 15.8691(3), c = 10.2160(2)Å, β = 118.8050(6), Z = 4, V = 1412.28(4)ų, D_calcd = 1.778 g/cm³, Z = 4. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0266 and 0.0653, respectively, for all 2896 independent reflections.