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Polymorphism of di­methyl­amino­borane N(CH(3))(2)-BH(2)

De­hydro­coupling of the adduct of di­methyl­amine and borane, NH(CH(3))(2)-BH(3) leads to di­methyl­amino­borane with formal composition N(CH(3))(2)-BH(2). The structure of this product depends on the conditions of the synthesis; it may crystallize either as a dimer in a triclinic space group formi...

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Autores principales: Bodach, Alexander, Bernert, Thomas, Fischer, Michael, Ley, Morten Brix, Weidenthaler, Claudia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8040097/
https://www.ncbi.nlm.nih.gov/pubmed/33843738
http://dx.doi.org/10.1107/S2052520621001979
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author Bodach, Alexander
Bernert, Thomas
Fischer, Michael
Ley, Morten Brix
Weidenthaler, Claudia
author_facet Bodach, Alexander
Bernert, Thomas
Fischer, Michael
Ley, Morten Brix
Weidenthaler, Claudia
author_sort Bodach, Alexander
collection PubMed
description De­hydro­coupling of the adduct of di­methyl­amine and borane, NH(CH(3))(2)-BH(3) leads to di­methyl­amino­borane with formal composition N(CH(3))(2)-BH(2). 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(CH(3))(2)-BH(2)](2) or as a trimer forming a six-membered ring [N(CH(3))(2)-BH(2)](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.
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spelling pubmed-80400972021-05-04 Polymorphism of di­methyl­amino­borane N(CH(3))(2)-BH(2) Bodach, Alexander Bernert, Thomas Fischer, Michael Ley, Morten Brix Weidenthaler, Claudia Acta Crystallogr B Struct Sci Cryst Eng Mater Research Papers De­hydro­coupling of the adduct of di­methyl­amine and borane, NH(CH(3))(2)-BH(3) leads to di­methyl­amino­borane with formal composition N(CH(3))(2)-BH(2). 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(CH(3))(2)-BH(2)](2) or as a trimer forming a six-membered ring [N(CH(3))(2)-BH(2)](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. International Union of Crystallography 2021-03-26 /pmc/articles/PMC8040097/ /pubmed/33843738 http://dx.doi.org/10.1107/S2052520621001979 Text en © A. Bodach et al. 2021 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Papers
Bodach, Alexander
Bernert, Thomas
Fischer, Michael
Ley, Morten Brix
Weidenthaler, Claudia
Polymorphism of di­methyl­amino­borane N(CH(3))(2)-BH(2)
title Polymorphism of di­methyl­amino­borane N(CH(3))(2)-BH(2)
title_full Polymorphism of di­methyl­amino­borane N(CH(3))(2)-BH(2)
title_fullStr Polymorphism of di­methyl­amino­borane N(CH(3))(2)-BH(2)
title_full_unstemmed Polymorphism of di­methyl­amino­borane N(CH(3))(2)-BH(2)
title_short Polymorphism of di­methyl­amino­borane N(CH(3))(2)-BH(2)
title_sort polymorphism of di­methyl­amino­borane n(ch(3))(2)-bh(2)
topic Research Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8040097/
https://www.ncbi.nlm.nih.gov/pubmed/33843738
http://dx.doi.org/10.1107/S2052520621001979
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