Mingzhe Ji, Jiaxing Hu, Tianjiao Fu
Feb 1, 2000
Citations
0
Influential Citations
1
Citations
Journal
Journal of Chemical Crystallography
Abstract
Abstract3-Chloro-3,6-dinitro-2,2-dimethyl-4-chromanone is the first 3-chloro-3-nitro-4-chromanone to be synthesized by nitrating its corresponding 4-chromanone at the 3 position and then chlorinating the nitration product. Its structure was determined by IR, NMR, MS and x-ray crystallography. It crystallizes as a pair of enantiomers with 2 molecules in the primitive triclinic space group P $$\overline 1$$ (#2) with a = 9.476(2), b = 10.906(3), c = 6.578(5) Å, and α = 101.08(3), β = 90.13(3), γ = 73.23(1)°, V = 637.7500 Å3, and Z = 2. The nitro group at the 6 position conjugates with the benzene ring. The pyranone ring has a half-chair conformation; the chloro group occupies the pseudoequatorial position, and the nitro group occupies the pseudoaxial position. The 2 and 3 positions are essentially antiperiplanar, minimizing steric interaction.