Crystal structure of a cocrystal compound: 1, 10- phenanthroline-5, 6-dione and 2,6- Pyridinedicarboxylic acid tetrahydrat

The cocrystal of (phen-dione) (pydc.H2).4H2O,where, phen-dione=1,10-phenanthroline-5,6-dione and pydc.H2=2, 6-pyridinedicarboxylic acid) has beenprepared and fully characterized by spectroscopic The single crystal of this compound was determined by the x-ray diffraction method. This compound crystallizes in thetriclinic system, space group p-1, with two formula units in the unit cell. The unit-cell parameters are: a = 8.7689(9) Å, b = 10.5701(12) Å, c = 11.911(2) A, with α=101.408(5)°,β = 95.301(5)° and λ = 113.633(5)°.The final R value is 0.0263 for 5169 measured reflections.Cocrystal results in the formation of a self-associated system consisting of two neutral molecules unites connected through H-bonding.

کلیدواژه ها:

cocrystal ، ، 10-Phenanthroline-5 ، 6-dione2 ، 6-pyridinedicarboxylic acid ، Crystal structure ،