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The crystal structure of 2,3,5,6-tetraiodo-1,4-benzenedicarboxylic acid dihydrate is described and the following structural features are established by XRD: C8H6I4O6, M 705.73; monoclinic crystal system, P21/n space group; unit cell parameters: a = 5.78160(10) Å, b = 15.0976(2) Å, c = 17.3437(3) Å; α = 90°, β = 94.602(2)°, γ = 90°; V = 1509.02(4) Å3, Z = 4, ρcalc = 3.106 g/cm3. Some features of the thermolysis of terephthalic acid and its iodine derivatives are described. Diiodoterephthalic acid is the least thermally stable, tetraiodoterephthalic acid is the most stable. The iodinated terephthalic acids have similar heats of fusion. The largest amount of carbon residue is formed during the decomposition of 2,3,5,6-tetraiodo-1,4-benzenedicarboxylic acid. [ABSTRACT FROM AUTHOR]

3D coordination polymers of Zn(II) with 2,5-diiodoterephthalate linkers (DMA)2[Zn(2,5-I-bdc)2]·1.5DMF (1) and K2[Zn(2,5-I-bdc)2]·2DMF (2) (2,5-I-bdc = 2,5-diiodoterephthalate) are prepared; their structure is established by XRD. [ABSTRACT FROM AUTHOR]

Two metal-organic frameworks based on Cd(II) and 2-iodo-(2-I-Bdc) and 2,5-diodo-(2,5-I-Bdc)terephthalate were obtained: {[Cd(2-I-Bdc)(Bbi)]} (I) and {[Cd2(2,5-I-Bdc)2(DMF)2(Bbi)]} (II) (Bbi = 1,1'-(1,4-butanediyl)bis(imidazole)). The structures of both complexes were established by X-ray diffraction (CCDC no. 2258217 (I) and 2257566 (II)). [ABSTRACT FROM AUTHOR]

The reaction of 3,3',5,5'-tetrabromo-4,4'-bipyridine (BrBipy) with cobalt nitrate and terephthalic acid (H2Bdc) gave 2D and 3D metal-organic frameworks {[Co2(Bdc)2(BrBipy)2(H2O)4]·4DMF} (I) and {[Co2(Ddc)4(BrDipy)]·2MeOH} (II), respectively. The structure of the complexes was studied by X-ray diffraction (CCDC nos. 2259216 (I) and 2259214) (II)). [ABSTRACT FROM AUTHOR]

Three-dimensional coordination polymers Cat2[{Zn4O}2(H2O)2(2,5-I-bdc)7] (1) (2,5-I-bdc = 2,5-diiodoterephthalate, Cat is dimethylammonium) and [Zn2(2,5-I-bdc)2dabco] (2) (dabco is 1,4-diazobicyclo [2.2.2]octane) are prepared. The structures of 1 and 2 are determined by single crystal X-ray diffraction. It is shown that the structure of 2 has a halogen bond between guest DMF molecules and the MOF iodine atom. The I⋯O distances are 2.93-3.03 Å. [ABSTRACT FROM AUTHOR]

The reaction of zinc(II) nitrate with 5-iodoisophthalic acid (5-I-IPAH) in N,N-dimethylformamide afforded the layered coordination polymer {Zn(5-I-IPA)}n(1). The structure of 1 was determined by single-crystal X-ray diffraction. The phase purity of 1 was confirmed by powder X-ray diffraction. The molecular electrostatic potentials of iodine atoms, which characterize their ability to form a halogen bond, were determined by quantum chemical calculations. [ABSTRACT FROM AUTHOR]