Crystalline multicomponent compounds involving hexaammine cobalt(III) cations

A new series of multicomponent compounds containing the cation [Co(NH3)(6)](3+) and various organic N-, N,O-, and O-donor moieties has been synthesized and crystallized. The series involves [Co(NH3)(6)]Cl-3 center dot 2(phen)center dot 3H(2)O (1), [Co(NH3)(6)](Hbdc)(bdc)center dot 3H(2)O (2), [Co(NH3)(6)]Cl-2(Hpht)center dot 3H(2)O (3), [Co(NH3)(6)]Cl(Hpht)(2)center dot 3H(2)O (4), [Co(NH3)(6)]Cl(2,3-pdc)center dot H2O (5), [Co(NH3)(6)](11) [Co(2,5-pdc)(3)](8)Cl center dot 84H(2)O (6), [Co(NH3)(6)][Co(3,5-pdc)(2)(H2O)(4)]Cl center dot 3H(2)O (7), [Co(NH3)(6)]Cl(sb)center dot 4H(2)O (8), and [Co(NH3)(6)](2)(sb)(3)center dot EtOH center dot 2.5H(2)O (9) (where phen = 1,10-phenanthroline, H(2)bdc = diphenyl-4,4'-dicarboxylic acid, H(2)pht = o-phthalic acid, H(2)pdc = 2,3-/ 2,5-/3,5-pyridinedicarboxylic acid, H(2)sb = 4-sulfobenzoic acid). Single crystal X-ray diffraction studies have revealed that in these compounds the [Co(NH3)(6)](3+) cation serves as a building block for the incorporation of various anions/molecules and promotes the formation of multicomponent compounds with extended charge-supported networks between cations and anions and others such as H-bonds between charged center dot center dot center dot neutral and neutral center dot center dot center dot neutral components as well as pi-pi stacking interactions. In addition to the [Co(NH3)(6)](3+) cations, compounds 1-9 contain in changing composition CF, deprotonated phthalate, diphenyldicarboxylate, pyridinedicarboxylate, and sultanate anions or complex [Co(2,5-pdc)(3)](4-) and [Co(3,5-pdc)(2)(H2O)(4)](2-) anions, as well as neutral 1,10-phenanthroline and ethanol and water molecules as components of the crystallization. Hirshfeld surface analysis was also performed to discuss the strength of hydrogen bonds and to quantify the inter-contacts. Energy decomposition analysis of the intermolecular interaction energy was performed using the SAPT method to study the non-covalent bonding interactions of [Co(NH3)(6)](3+) cations with mono-, dianions and neutral molecules, and it was found that the calculated bonding energy for compound 1 is minimal. Compounds 1-9 were tested in vitro against Rhizobium (Agrobacterium) vitis, an oncogenic bacterium that causes tumor formation in plants. Compound 1, comprising hexaammine cobalt(III) chloride and 1,10-phenanthroline, showed the highest inhibitory potential and is thus qualified for an application against bacterial cancer in plants.