The crystal structure of 3-hydroxy-2-nitroestra-1,3,5(10)-trien-17-one, C18H21NO4

C18H21NO4, orthorhombic, C222(1) (no. 20), a = 10.6891(2) angstrom, b = 11.8375(2) angstrom, c = 25.4410(4) angstrom, V = 3219.11(10) angstrom(3), Z = 8, R-gt(F) = 0.0483, wR(ref)(F-2) = 0.1449, T = 295 K. CCDC no.: 2236340 The molecular structure of 3-hydroxy-2-nitroestra-1,3,5(10)trien-17-one (2-nitroestrone) is shown in the figure. Table 1 contains crystallographic data, and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters.

Automated summary

This paragraph describes the molecular structure and crystallographic data of 3-hydroxy-2-nitroestra-1,3,5(10)trien-17-one (2-nitroestrone).