Abstract
The reaction of terephthalaldehyde, p-chloroaniline, and diethyl phosphite in ethyl alcohol solution yields a new crystal (1), CCDC:1405044. This compound is characterized by X-ray single-crystal diffraction, IR, elemental analysis, ESI-MS, and 1H and 13C NMR. Compound 1 crystallizes in the triclinic system, space group P-1 with a = 11.0444(4) A, b = 12.6468(4) A, c = 12.7657(4) A, V = 1627.46(9) A3, Z = 2, C28H36Cl2N2O6P2, Mr = 629.43, Dc = 1.284 g/cm3, μ = 0.339 mm–1, F(000) = 660, GOOF = 1.101, final R = 0.0875 and wR = 0.1082 for 7381 observed reflections (I > 2σ(I)). The X-ray analysis reveals that the planes of p-chloroaniline and terephthalaldehyde form a dihedral angle of 87.54(0.28)o. In the crystal of compound 1, P atoms have tetrahedral geometries, made up by a double-bond O atom, one Cα atom, and two O-ethyl groups. Besides, Cα atoms are responsible for the existence of the optical activity. Five intramolecular hydrogen bonds helping to stabilize the crystal structure are observed. The interaction between compound 1 and DNA/BSA is also studied.
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