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CRYSTAL-STRUCTURE OF 5-BENZOYLOXYOCTAETHYLPORPHYRIN

Abstract

5-Benzoyloxyoctaethylporphyrin, C43HsoN402, monoclinic, .P2~/c, a = 15.105 (1), b = 20-729 (2), c-=- 12-721 (1) A, fl = 112.05 (2) °, D m = I. 18, D c = 1.177 gcm -3 for Z = 4. The structure was solved by direct methods, and refined to R = 0.0474, R w = 0.0510 for 4076 reflections measured on an automatic diffractometer. The central porphyrin system is distinctly non-planar, and adopts a shallow saucer shape. A 'halfhydrogen' atom has been located attached to each central nitrogen atom; however, it is not clear whether these are truly representative of N-H tautomerism, or are crystallographic artifacts

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