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Article Dans Une Revue Journal of Chemical Crystallography Année : 2011

Crystal Structure of Ethoxidine, A Synthetic Quaternary Benzo[c]phenanthridine

Résumé

The complete structure of N-methyl-12-ethoxy-2,3,8,9-tetramethoxybenzo[c]phenanthridinium methylsulfonate salt 1, also named ethoxidine, was established by a single-crystal X-ray analysis. The crystal is triclinic, space group P1− with a = 14.1836 (11), b = 14.2803 (11), c = 14.3073 (12) Å, β = 77.699 (5)°, V = 2422.3 (3) Å3, Z = 4, 2 C25H29NO8S, D c = 1.381 g/cm3, μ (CuKα) = 1.5418 Å, S = 1.036, F (000) = 1064.00, R = 0.0594 and wR = 0.1446. In the unit cell, there are two independent molecules. Solid-state data could be used to enlighten the biological mechanism of action.

Dates et versions

hal-03247445 , version 1 (03-06-2021)

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Jean-Jacques Helesbeux, Enguerran Vanquelef, Jean Guillon, Jean-Michel Léger, Olivier Duval. Crystal Structure of Ethoxidine, A Synthetic Quaternary Benzo[c]phenanthridine. Journal of Chemical Crystallography, 2011, 41 (12), pp.1945 - 1948. ⟨10.1007/s10870-011-9986-9⟩. ⟨hal-03247445⟩
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