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Journal Article

Polymorphism of di­methyl­amino­borane N(CH3)2-BH2


Bodach,  Alexander
Research Group Felderhoff, Max-Planck-Institut für Kohlenforschung, Max Planck Society;


Bernert,  Thomas
Research Group Weidenthaler, Max-Planck-Institut für Kohlenforschung, Max Planck Society;


Ley,  Morton Brix
Research Department Schüth, Max-Planck-Institut für Kohlenforschung, Max Planck Society;


Weidenthaler,  Claudia
Research Group Weidenthaler, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Bodach, A., Bernert, T., Fischer, M., Ley, M. B., & Weidenthaler, C. (2021). Polymorphism of di­methyl­amino­borane N(CH3)2-BH2. Acta Crystallographica Section B, 77(2), 299-306. doi:10.1107/S2052520621001979.

Cite as: https://hdl.handle.net/21.11116/0000-0008-4BA9-6
De­hydro­coupling of the adduct of di­methyl­amine and borane, NH(CH3)2-BH3 leads to di­methyl­amino­borane with formal composition N(CH3)2-BH2. The structure of this product depends on the conditions of the synthesis; it may crystallize either as a dimer in a triclinic space group forming a four-membered ring [N(CH3)2-BH2]2 or as a trimer forming a six-membered ring [N(CH3)2-BH2]3 in an orthorhombic space group. Due to the denser packing, the six-membered ring in the trimer structure should be energetically more stable than the four-membered ring. The triclinic structure is stable at low temperatures. Heating the triclinic phase above 290 K leads to a second-order phase transition to a new monoclinic polymorph. While the crystal structures of the triclinic and orthorhombic phases were already known in the literature, the monoclinic crystal structure was determined from powder diffraction data in this study. Monoclinic di­methyl­amino­borane crystallizes in space group C2/m with the boron and nitro­gen atoms located on the mirror plane, Wyckoff position 4i, while the carbon and hydrogen atoms are on the general position 8j.