A monoclinic polymorph of N,N′-bis­(2,6-diisopropyl­phen­yl)formamidine

A new polymorph of N,N′-bis­(2,6-diisopropyl­phen­yl)formamidine, C25H36N2, is reported, which is different from the previously reported ortho­rhom­bic structure. The mol­ecule crystallizes in the E–anti configuration, with tautomeric disorder of the N-bonded H atoms and no clear distinction between imine and amine functionalities. The mol­ecules form hydrogen-bonded dimers with inter­molecular N⋯N distances shorter than those in the ortho­rhom­bic polymorph

(η5-Cyclo­penta­dien­yl)(η6-1,2-dipyrrolidin-1-ylbenzene)iron(II) hexa­fluoridophosphate

Both complexed rings in the iron(II) complex cation of the title salt, [Fe(C5H5)(C14H20N2)]PF6, are almost parallel [dihedral angle between planes = 5.34 (13)°]. Among the C atoms of the complexed arene ring, the quaternary C atoms are located at the longest, albeit unequal, distances from the Fe atom [2.252 (2) and 2.168 (2) Å]

(η5-Cyclo­penta­dien­yl)[η6-diethyl eth­yl(phen­yl)malonate]iron(II) hexa­fluorido­phosphate

At 223 (2) K, the complexed rings in the iron(II) complex cation of the title salt, [Fe(C5H5)(C15H20O4)]PF6, are almost parallel [dihedral angle between planes = 4.10 (14)°]. Among the C atoms of the complexed arene ring, the quaternary C atom is located at the longest distance from the Fe atom. The F atoms of the PF6 − anion were found to be equally disordered over two sites

Tricarbonyl[N,N',N"-tris(2,6-diisopropylphenyl)guanidine]molybdenum(0)

Sherpa Romeo green journal. Open access article. Creative Commons Attribution License (CC BY) applies.Ye

Metal carbonyl complexes of phosphaamidines: coordinative integrity detected in C-amino(λ3,σ2)phosphaalkene isomers coordinated through n(P) HOMO−1 donor orbitals

Sherpa Romeo yellow journal. Gold open access article. Creative Commons Attribution 3.0 Unported License (CC BY 3.0) appliesMetal(0) complexes L(Cr,Mo,W)(CO)5 have been prepared from 1,3-bis(2,6-diisopropylphenyl)-2(4-methylphenyl)-3-aza-1(λ3,σ2)-phosphapropene and 1,3-bis(2,6-diisopropylphenyl)-2-(4-methoxyphenyl)-3-aza-1(λ3,σ2)-phosphapropene using standard methods. Full characterization of four products and crystal structures of these complexes as well as the methoxyphenyl-phosphapropene are reported. The ligands coordinate κP, common for simple phosphaalkenes, despite the strongly-perturbing amino substitution at the double bond C atoms. Analyses of the NMR and vibrational spectroscopic data reveal that the complexes have very similar character to similarly-coordinated phosphaalkenes, with strong σ-donor character. The presence of some net π-interactions (acceptor or donor) is indicated by structures in which the ligands coordinate fully eclipsed with the M–CO groups. The synthetic and structural results have been augmented by B3PW91/LANL2DZ calculations that reproduce the structures of the Cr complexes accurately. The calculated vibrational spectra are used to confirm the assignment of the ν(CuO) vibrational data. Detailed orbital interaction diagrams based on DFT calculations are reported for the title complexes as well as for the Cr(CO)5 complex of Mes–PvCPh2. The electronic absorption spectra of the title complexes have intense low-energy absorptions ranging from 24500 to 25300 cm−1, which can be interpreted qualitatively using the DFT results.Ye

Hexaaqua­gallium(III) trinitrate trihydrate

The title compound, [Ga(H2O)6](NO3)3·3H2O, is isostructural to other known M III nitrate hydrates (M = Al, Cr, Fe). The structure contains two distinct octa­hedral Ga(OH2)6 units (each of symmetry) which are involved in inter­molecular hydrogen bonding with the three nitrate anions and three water mol­ecules within the asymmetric unit

1,3-Bis(2,6-diisopropyl­phen­yl)imidazolidinium tetra­phenyl­borate dichloro­methane disolvate

The title compound, C27H39N2 +·C24H20B−·2CH2Cl2, is the first reported imidazolidinium cation with the sterically demanding 2,6-diisopropyl­phenyl groups in the 1,3-positions. The crystal structure is stabilized by weak inter­molecular C—H⋯π(arene) inter­actions. Due to the bulky nature of both the flanking 2,6-diisopropyl­phenyl substituents and the tetra­phenyl­borate counter-ion, anion inter­actions with the imidazolidinium H atom in the 2-position are not observed, also a first for this class of ortho-alkyl-substituted Arduengo-type carbene precursors

1,3-Bis(2,6-diisopropyl­phen­yl)imidazolidin-2-yl­idene

The title compound, C27H38N2, is the first reported free imidazolidin-2-yl­idene carbene with 2,6-diisopropyl­phenyl groups in the 1,3-positions. The five-membered ring adopts a twisted conformation and the dihedral angle between the aromatic rings is 48.81 (6)°. Both isopropyl groups attached to one of the benzene rings are disordered over two sets of sites in 0.74 (2):0.26 (2) and 0.599 (8):0.401 (8) ratios

Synthesis, crystal structure and DFT calculations on 2,6-diisopropylphenylcopper: its use in the preparation of dichloro-2,6-diisopropylphenylphosphine

Sherpa Romeo green journal. Permission to archive accepted author manuscript.The homoleptic aryl copper reagent [Cu4Dipp4] (Dipp = 2,6-diisopropylphenyl) has been prepared and structurally characterized by a single-crystal X-ray diffraction study. Its tetrameric structure differs in significant details from that of the previously reported [Cu4Tripp4] (Tripp = 2,4,6-triisopropylphenyl). The electronic structure of the cluster has been probed through B3LYP/6-3111G(2d,p)//B3LYP/6-31G calculations on [Cu4Ph4] constrained to D2d symmetry. The utility of the new copper reagent is demonstrated by the preparation of pure DippPCl2, for which the crystal structure is also reported.Ye

(η5-Cyclo­penta­dien­yl)[(1,2,3,4,4a,12a-η)-naphtho­[2,3-b][1,4]benzodioxine]iron(II) hexa­fluoridophosphate

At 296 (2) K, both complexed rings in the iron(II) complex cation of the title salt, [Fe(C5H5)(C16H10O2)]PF6, are almost parallel [dihedral angle between planes = 2.4 (3)°]. The quaternary C atoms of the complexed arene ring are located at the longest distance from the Fe atom, with Fe—C distances of 2.112 (4) and 2.105 (3) Å, which are slightly longer than the average Fe—C distance for this ring (2.083 Å). The Fe ion is located 1.660 (1) and 1.543 (1) Å, respectively, from the cyclo­penta­dienyl and the complexed arene ring