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The crystal structure of the title compound (5) (C 34 H 38 N 4 O 3 ,  M w   = 550.7) has been determined by X-ray diffraction methods in order to determine the influence of the carbomethoxy group on ring V upon the aggregation behaviour of chlorophylls. The crystals are green parallelpipeds and crystallize in the orthorhombic space group  P 2 1 2 1 2 1  with  a  = 8.120(6),  b  = 14.431(10),  c  = 24.405(8) Å,  F  =2860(3)Å3,  Z  = 4,  D  = 1.27 9Mg/m 3 .  λ (Mo K α  ) = 0.71069 Å,  μ  = 0.077 mm −1 ,  F (000) 1176, 130 K. The final  R  value is 0.055 for 1338 observed reflections. The molecules are closely packed by interactions of the propionic ester side chains with each other and by close contacts of the C10-meso-proton with the carbonyl group on ring V.

Structure and conformation of photosynthetic pigments and related compounds. 1. Methyl mesopyropheophorbide a