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

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The crystal structure of the title compound (5) (C34H38N4O3, Mw = 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 P212121 with a = 8.120(6), b = 14.431(10), c = 24.405(8) Å, F=2860(3)Å3, Z = 4, D = 1.279Mg/m3. λ(MoKα) = 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. © by R. Oldenbourg Verlag

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Zeitschrift fur Kristallographie - New Crystal Structures

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