CCDC 1455102: Experimental Crystal Structure Determination

Polymorphism and Peroxomorphism in Peroxosolvates of Zwitterionic Sulfonic Acids: Features of H-Bonding and Crystal Packing

“…Usually, these angles are less than 150°1 1 and centrosymmetric cases are relatively rare (9 of 110 organic peroxosolvates structures in CSD, 8.2%). 13,[20][21][22]25,50,52,78,79 The latter is in agreement with well-known fact that in the gaseous phase, transconformation of the H 2 O 2 molecule matches the rotational transition state and thus is energetically unfavorable than gauche conformation with a H−O−O−H torsion angle near 118°. 80,81 Both peroxide molecules are involved in four moderate charge-assisted hydrogen bonds (two as hydrogen donors and two as hydrogen acceptors, Figure S1) forming the most common [2,2] H-bonding mode for closely related peroxosolvates of zwitterionic amino acids.…”

Three-Coordinate Halide and Methyl Complexes of Chromium, Manganese, Iron, Cobalt, and Nickel Enabled by an Imidazolin-2-iminato Ligand

“…Indeed, the C�N bond distances of 1.274(3)− 1.294(3) Å in CrCl−NiCl are between the bond distances of the C−N single and double bonds and are longer than that in the dimer of the lithiated ligand, [Li(μ 2 -NIm Dipp )] 2 , of 1.241(3) and 1.242(4) Å. 15 Similar results have been observed in the Ti(III) and Fe(II) analogs [Ti(μ 2 -NIm Dipp )(Cl) 2 ] 2 and [Fe(μ 2 -NIm Dipp )(I) 2 ] 2 reported by Fortier et al 25 and Tamm et al, 26 respectively, which exhibit C−N bond distances of 1.327(3) and 1.323(3) Å for Ti and 1.302(2) Å for Fe.…”

“…Importantly, this ligand has been used to synthesize a number of main group compounds 13−20 and transition metal complexes, 21−25 and its tendency to adopt a bridging coordination mode has been shown in some examples in the literature. 18,20,25,26 Herein, a series of three-coordinate, first-row transition metal terminal halide (M = Cr, Mn, Fe, Co, and Ni) complexes supported by this strong σand π-donating ligand is reported. Following the isolation of these halide complexes, methyl complexes adopting bridging (Cr) and terminal (M = Mn, Fe, and Co) coordination modes were synthesized and characterized.…”

2,6‐Diisopropylphenyl substituted Bismuth Halide and Interpnictogen Compounds

“…[7] The BiÀ C distances however, are very similar to Ph 3 Bi or Mes 3 Bi. [24][25][26][27][28][29][30][31][32] The influence of three sterically demand substituents is also observed in the NMR spectra of compound 1, where extremely broad signals are obtained in the 1 H and 13 C NMR spectra at room temperature. This is caused by hindered rotation around the Bi-C and the o-CÀ CH axes and was further examined via temperature dependent 1 H and 13 C NMR spectroscopy (see Supporting Informations).…”

“…Compound 1 crystallizes in the monoclinic space group P2 1 /c with one molecule in the asymmetric unit (Figure 3a.). Due to the three sterically demanding substituents, all CÀ BiÀ C angles (105.64(7)-107.19(7)°) are very large and the angle sum around bismuth of 318.4(2)°is far larger than in compounds like Ph 3 Bi (281.0(3)-283.2(3)°) [24][25][26][27][28][29][30] or Mes 3 Bi (307.5(7)°, 308(1)°) [31,32] and comparable to other triaryl bismuthanes with sterically very demanding substituents like ((2,4,6-CF 3 )C 6 H 2 ) 3 Bi (318(1)°) [33] or ((2,4,6-Ph)C 6 H 2 ) 3 Bi (317(1)°). [7] The BiÀ C distances however, are very similar to Ph 3 Bi or Mes 3 Bi.…”