Crystal Structure of 9-Dibenzylsulfide-7,8-dicarba-nido-undecaborane 9-Bn2S-7,8-C2B9H11

The crystal structure of 9-dibenzylsulfide-7,8-dicarba-nido-undecaborane 9-Bn2S-7,8-C2B9H11 was determined by a single-crystal X-ray diffraction. One of the benzyl groups is located above the open face of the carborane cage with a short H···H distance (2.29 and 2.71 Å for two symmetrically independent molecules) between the BHB-bridging hydrogen atom of the carborane fragment and the ortho-CH group of the aromatic ring. Topological analysis has revealed the existence of a critical bond point with a calculated energy of −0.8 kcal/mol in accordance with an X-ray diffraction molecular geometry. The crystal packing analysis revealed that this benzyl group is also involved in π-stacking interactions, while another benzyl group participates in numerous weak H···π, H···H and van der Waals interactions

Silver and Copper Complexes with closo-Polyhedral Borane, Carborane and Metallacarborane Anions: Synthesis and X-ray Structure

Synthesis and structure of silver and copper salts and complexes with polyhedral boron hydride anions, including closo-decaborate [B10H10]2−, closo-dodecaborate [B12H12]2−, 1-carba-closo- decaborate [1-CB9H10]−, carba-closo-dodecaborate [CB11H12]−, and cobalt bis(dicarbollide) [3,3′-Co(1,2-C2B9H11)2]− anions and their derivatives, are reviewed. The complexes demonstrate a wide variety of structural types, relating to both the metal coordination environment and coordination modes of boron hydride anions. The latter can range from strong coordination via the polyhedron triangular face including formation of 3c-2e MHB bonds in the case of the [B10H10]2− dianion, the structure of which contains two four-coordinated boron atoms, to very weak M…H interactions with the hydride atoms in the case of bulky [3,3′-Co(1,2-C2B9H11)2]− monoanion

Coordination Ability of 10-EtC(NHPr)=HN-7,8-C2B9H11 in the Reactions with Nickel(II) Phosphine Complexes

The complexation reactions of nido-carboranyl amidine 10-PrNHC(Et)=HN-7,8-C2B9H11 with different nickel(II) phosphine complexes such as [(PR2R’)2NiCl2] (R = R’ = Ph, Bu; R = Me, R’ = Ph) were investigated. As a result, a series of novel half-sandwich nickel(II) π,σ-complexes [3-R’R2P-3-(8-PrN=C(Et)NH)-closo-3,1,2-NiC2B9H10] with the coordination of the carborane and amidine components was prepared. The acidification of obtained complexes with HCl led to the breaking of the Ni-N bond with formation of nickel(II) π-complexes [3-Cl-3-R’R2P-8-PrNH=C(Et)NH-closo-3,1,2-NiC2B9H10]. The crystal molecular structure of [3-Ph3P-3-(8-PrN=C(Et)NH)-closo-3,1,2-NiC2B9H10] was determined by single crystal X-ray diffraction

1,12-Diiodo-Ortho-Carborane: A Classic Textbook Example of the Dihalogen Bond

The crystal structure of 1,12-diiodo-ortho-carborane 1,12-I2-1,2-C2B10H10 was determined by single crystal X-ray diffraction. In contrary to earlier studied 1,12-dibromo analogue 1,12-Br2-1,2- C2B10H10, its crystal packing is governed by the presence of the intermolecular I⋯I dihalogen bonds between the iodine atom attached to the carbon atom (acceptor) and the iodine atom attached to the antipodal boron atom (donor) of the carborane cage. The observed dihalogen bonds belong to the II type and are characterized by classical parameters: shortened I⋯I distance of 3.5687(9) Å, C–I⋯I angle of 172.61(11)° and B–I⋯I angle of 92.98(12)°

Synthesis and Crystal Structure of 9,12-Dibromo-ortho-Carborane

Synthesis, NMR spectral data and crystal structure of 9,12-dibromo derivative of ortho-carborane are reported