The crystal structure of hexamethylenetetramine–borine C₆H₁₂N₄.BH₃

Abstract

The crystal structure of hexamethylenetetramine-borine has been determined by the three-dimensional X-ray method. The space group is R3m, lattice parameters: a= 6-15 + 0-01/~ and ~.= 103.2 + 0-2 °, with one formula in the unit cell; final refinement by a three-dimensional anisotropic least-squares analysis resulted in an R value of 6.8%. Hexamethylenetetramine-borine molecules have C3v-3m symmetry.

Reactions of N-heterocyclic ligands with substitutionally labile organometallic complexes, [(η5-C5R5)Fe(CO)2E]BF4

“…The difference in bond lengths can be attributed to loss of symmetry upon coordination to the electrophilic iron centre. Similar observations were reported by Hanic and Šubrtová in the structural study of C 6 H 12 N 4 ÁBH 3 [57] and by Frost et al in the structural study of PTAÁBH 3 [58]. For nitrogen coordinated PTA complexes, elongation of (N)C-N mainly results from alkylation or protonation of PTA, while metallation of PTA results in little or no change in (N)C-N distance [59].…”

Boron–Nitrogen Adducts of 1,3,5‐Triaza‐7‐phosphaadamantane (PTA): Synthesis, Reactivity, and Molecular Structure

“…Noteworthy is that the B-N bond length [1.58(2) Å] in 1 is similar to that found in the DABCO adduct, N(CH 2 CH 2 ) 3 N-BH 3 (B-N = 1.598 Å), [18] and is slightly shorter than the B-N bond in the hexamethylenetetramine-borane adduct [B-N = 1.661(7) Å]. [19] Also of note is that the (B)N-C(N) bond length, 1.505(9) Å, is longer than the other N-C(N) bond lengths, 1.458(9) Å, consistent with other PTA complexes Figure 2. Thermal ellipsoid plot of PTA-BH 3 showing the atomic numbering scheme; hydrogen atoms have been omitted for clarity; thermal ellipsoids are plotted at 50 % probability.…”

Crystal structure of boratedN,N,N′,N′-tetramethyldiaminomethane

“…Our group frequently uses methods to deprotonate compounds in -position (Strohmann & Gessner, 2007;Gessner & Strohmann, 2012). For crystal structures containing the borated N,N,N 0 ,N 0 -tetramethyldiaminomethane motif, see: Fang et al (1994); Hanic & Š ubrtová (1969); Flores-Parra et al (1999); Rojas-Lima et al (2000). For comparison with other structures with dimethylaminoborane moiety, see: Gollas et al (2013); Bera et al (2011); Ramachandran et al 2004; Netz et al (2005).…”