Synthesis and crystal structure of [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](isocyanato-κN)gold(I)
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ABSTRACT:
SUBMITTER: Bakhoda A
PROVIDER: S-EPMC10848990 | biostudies-literature | 2024 Jan
REPOSITORIES: biostudies-literature
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Project description:In the title binuclear complex, [Li2(C27H36N2)2I2], the unique Li(I) cation is coordinated by two iodide anions and one yl-idene C atom from a 1,3-bis-(2,6-diiso-propyl-phen-yl)imidazol-2-yl-idene ligand in a distorted trigonal-planar geometry. The two symmetry-related iodide anions bridge two Li(I) cations, forming an inversion dimer in which the Li2I2 plane is nearly perpendicular to the imidazol-2-yl-idene ring, with a dihedral angle of 85.5 (3)°. No hydrogen bonding is observed in the crystal.
| S-EPMC4459370 | biostudies-literature
Project description:In the title hemisolvate, C27H36BI3N2 .0.5C6H6, the dihedral angles between the central heterocyclic ring and pendant benzene rings are 82.9 (8) and 88.7 (9)° and the complete benzene solvent mol-ecule of crystallization is generated by a crystallographic centre of inversion. In the crystal, one very weak C-H⋯I inter-action links the mol-ecules into [001] chains.
| S-EPMC9462236 | biostudies-literature
Project description:In the title salt, [Ag(C27H36N2)2]Cl·C4H8O, the Ag(I) atom is coordinated by two 1,3-bis-(2,6-di-methyl-phen-yl)imidazol-2-yl-idene ligands. The imidazole rings are inclined to one another by 46.69 (13)° and the benzene rings in each ligand are almost normal to the imdazole ring to which they are attached, with dihedral angles varying from 82.39 (13) to 88.27 (12)°. There are C-H⋯π inter-actions present in the cation, involving the two ligands, and the solvent mol-ecule is linked to the cation via a C-H⋯O hydrogen bond. In the crystal, mol-ecules are linked by trifurcated C-H⋯(Cl,Cl,Cl) hydrogen bonds, forming slabs parallel to (101). One isopropyl group is disordered over two sets of sites with an occupancy ratio of 0.447 (17):0.553 (17) and the THF mol-ecule is disordered over two positions with an occupancy ratio of 0.589 (6):0.411 (6).
| S-EPMC4420118 | biostudies-literature
Project description:The title compound, [Mn(C24H34O4P)(CH3OH)5](C24H34O4P)·3CH3OH, was formed in the reaction between a hydrate of a manganese(II) salt [either Mn(NO3)2(H2O)6 or MnCl2(H2O)4] with a methanol solvate of lithium bis-(2,6-diiso-propyl-phen-yl) phosphate, {Li[OOP(O-2,6- i Pr2C6H3)2]·(CH4O)3}·CH4O, in methanol. The structure has monoclinic (Cc) symmetry at 150 K. The complex consists of an [Mn{OOP(O-2,6- i Pr2C6H3)2}(CH3OH)5]+ cation, an [OOP(O-2,6- i Pr2C6H3)2]- anion and three non-coordinating methanol mol-ecules. The anion demonstrates disorder of an isopropyl group [occupancy ratio is 0.57 (4):0.43 (4)]. The di-aryl-phosphate ligand in the cation exhibits a κ1 O terminal coordination mode. The Mn atom is in a nearly unperturbed octa-hedral environment. The [Mn{OOP(O-2,6- i Pr2C6H3)2}(CH3OH)5]+ cation exhibits one intra-molecular O-H⋯O bond, and is coordinated via two inter-molecular O-H⋯O hydrogen bonds to the [OOP(O-2,6- i Pr2C6H3)2]- anion. The cations, anions and non-coordinating methanol mol-ecules are linked into infinite chains along the c-axis direction via 0-H⋯O hydrogen bonding. The complex is of inter-est as a possible inhibitor for the thermal decomposition of polydi-methyl-siloxane. The crystal studied was refined as an inversion twin with a domain ratio of 0.47 (3):0.53 (3).
| S-EPMC6176441 | biostudies-literature
Project description:In the title compound, C19H22N2, both the benzimidazole unit and the 2,6-diiso-propyl-phenyl group are essentially planar [maximum deviations from the least-squares planes of 0.005 (1) and 0.009 (1) Å, respectively]. The dihedral angle between the two planes is 79.6 (7)°. In the crystal, mol-ecules are linked into chains along the a-axis direction by weak C-H⋯N inter-actions. The crystal structure also features C-H⋯π inter-actions, which link the chains into a three-dimensional network.
| S-EPMC3793814 | biostudies-literature
Project description:The title compound, C26H38N5P, was synthesized by reacting 2-chloro-1,3-bis-(2,6-diiso-propyl-phen-yl)-1,3,2-di-aza-phospho-lidine with sodium azide and a catalytic amount of lithium chloride in tetra-hydro-furan. The title compound is the first structurally characterized 2-azido-1,3,2-di-aza-phospho-lidine and exhibits a P atom in a trigonal pyramidal geometry. The azide P-N bond length of 1.8547 (16) Å is significantly longer than the P-N separations for the chelating di-amine [P-N = 1.6680 (15) and 1.6684 (14) Å]. The sterically hindered 2,6-diiso-propyl-phenyl groups twist away from the central heterocycle, with dihedral angles between the central heteocyclic ring and benzene rings of 76.17 (10) and 79.74 (9)°. In the crystal, a weak C-H⋯N link to the terminal N atom of the azide group leads to [100] chains.
| S-EPMC5458321 | biostudies-literature
Project description:The title compound, C27H38ClN2+·C32H12BF24-, was synthesized by reacting the product formed from a previous reaction between 1,3-bis-(2,6-diiso-propyl-phen-yl)imidazolinium-2-carboxyl-ate (SIPrCO2), and SOCl2, with sodium tetra-kis-[3,5-bis-(tri-fluoro-meth-yl)phen-yl]borate (NaBARF). In the cation, the imidazole ring is in a half-chair conformation and the formerly carbene carbon atom is bonded in a distorted trigonal-planar geometry with N-C-Cl angles of 122.96 (16) and 122.21 (16)° and an N-C-N angle of 114.83 (18)°. In the crystal, weak C-H⋯F hydrogen bonds link the cations and anions, forming a three-dimensional network. In addition, a short Cl⋯F contact of 3.213 Å and several short F⋯F contacts less than the sum of the van der Waals radii [1.47 Å + 1.47 Å = 2.94 Å] are observed. The F atoms of two of the CF3 groups were refined as disordered over four sets of sites.
| S-EPMC5050779 | biostudies-literature
Project description:In the title compound, C19H21ClN2O2, the aromatic rings are approximately perpendicular to each other, subtending a dihedral angle of 87.7 (1)°. In the crystal, the 4-nitro-phenyl groups of pairs of neighbouring mol-ecules are parallel and oriented head-to-tail with a ring centroid-centroid distance of 3.9247 (12) Å, leading to a π-π inter-action between the pair. The faces of each phenyl ring of the 2,6-diiso-propyl-phenyl group inter-act with two different groups, viz. a chloro group of an adjacent mol-ecule on one side and the edge of the 4-nitro-phenyl ring of a second mol-ecule on the other side.
| S-EPMC3884373 | biostudies-literature
Project description:The title compound, C26H38ClN2OP, was synthesized by reacting phosphoryl chloride with N,N'-bis-(2,6-diiso-propyl-phen-yl)ethane-1,2-di-amine in the presence of N-methyl-morpholine which acted as an auxilliary base to quench the HCl released as a by-product. The resultant N-heterocyclic phosphine five-membered ring adopts a half-chair conformation and features a tetra-coordinate P atom ligated by the chelating di-amine [P-N = 1.6348 (14) and 1.6192 (14) Å], one double-bonded O atom [P1-O1 = 1.4652 (12) Å] and one Cl atom [P1-Cl1 = 2.0592 (7) Å]. The sterically hindered 2,6-diiso-propyl-phenyl (Dipp) groups twist away from the central heterocycle, with torsion angles of -75.66 (19) and 83.39 (19)° for the P-N-Car-Car links. A number of intra-molecular C-H⋯N, C-H⋯O and C-H⋯Cl close contacts occur. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds to generate [010] chains. C-H⋯π inter-actions are also observed.
| S-EPMC5418795 | biostudies-literature
Project description:The mononuclear title complex, [Eu(C24H34O4P)3(CH4O)5]·CH4O, (1), has been obtained as a minor product in the reaction between EuCl3(H2O)6 and lithium bis-(2,6-diiso-propyl-phen-yl) phosphate in a 1:3 molar ratio in a methanol medium. Its structure exhibits monoclinic (P21/c) symmetry at 120 K and is isostructural with the La, Ce and Nd analogs reported previously [Minyaev et al. (2018a ▸). Acta Cryst. C74, 590-598]. In (1), all three bis-(2,6-diiso-propyl-phen-yl) phosphate ligands display the terminal κ1 O-coordination mode. All of the hy-droxy H atoms are involved in O-H⋯O hydrogen bonding, exhibiting four intra-molecular and two inter-molecular hydrogen bonds. Photophysical studies have demonstrated luminescence of (1) with a low quantum yield.
| S-EPMC6895930 | biostudies-literature