Molecular cocrystals of carboxylic acids.Ii. the crystal structure of the 1: 2 Adduct of phenoxyacetic acid with 3, 5-dinitrobenzoic acid

The 1: 2 molecular adduct between phenoxyacetic acid and 3, 5-dinitrobenzoic acid, with formula [(CHOCHCOOH){3, 5-(NO)CHCOOH)(HO)], has been prepared and its structure determined by X-ray diffraction. Crystals are triclinic, space group Pī with two complex units in a cell with dimensions a 7.202(2), b 18.519(5), c 20.924(6)Â, α 66.33(3),β 86.04(2),γ 89.32(2)°. The molecular repeating unit comprises two phenoxyacetic acid molecules [forming hydrogen-bonded cyclic dimers (O O, 2.71, 2.74 Â)], four 3, 5- dinitrobenzoic acid molecules [giving two unusual one-bond hydrogen bonds (O…O, 2.59, 2.64Â)] and two water molecules. The waters are intimately involved in a hydrogen-bonding network with carboxylic acid oxygens