Crystal and molecular structure of 3,8,12-triethyl-14-formyl-2,7,13-trimethyl-1(15H)-tripyrrinone, a tripyrrolic aldehyde derived from aetiobiliverdin-IV?

Abstract

The structure of the title compound, a tripyrrolic compound derived from aetiobiliverdin-IVγ has been determined from three-dimensional X-ray diffractometer data. The tripyrrolic skeleton shows only small deviations from planarity. Adjacent rings assume the Z-configuration with the nitrogen atoms syn. Bond lengths in the three rings are quite different. No intra- or inter-molecular hydrogen bonding is observed. The compound crystallizes in the orthorhombic space group Pna2₁ with cell dimensions a= 9.773(2), b= 11.468(2), c= 19.402(3)Å, Z= 4. The structure was solved by direct methods and refined by least-squares techniques to R 0.063 for 1 037 observed reflections.