Crystal and molecular structure of 2-[(4-nitrophenyl)carbonyl]cyclohex-1- ene-1-yl 4-nitrobenzoate

The crystal structure of 2-[(4-nitrophenyl)carbonyl]cyclohex-1-ene-1-yl 4-nitrobenzoate is studied (T = 173 K, R1 = 0.0354 for 2713 observed reflections). This crystal is orthorhombic, a = 7.8367(8) Å, b = 9.6082(10) Å, c = 23.856(3) Å, V = 1796.3(3) Å3, space group P212121, and Z = 4. The molecule has a folded configuration, which is stabilized by π-π interactions between its two parts. A system of intermolecular C-H⋯O hydrogen bonds (H⋯O, 2.44-2.67 Å; CHO angles 122°-169°) and intramolecular C-H⋯O contacts closing five-membered cycles (H⋯O, 2.42-2.59 Å; CHO angles 96°-102°) are formed in the structure. © Pleiades Publishing, Inc., 2011.