Cargando…
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...
Autores principales: | , , , , |
---|---|
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 |
_version_ | 1783677719239720960 |
---|---|
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. |
format | Online Article Text |
id | pubmed-8040097 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT bodachalexander polymorphismofdimethylaminoboranench32bh2 AT bernertthomas polymorphismofdimethylaminoboranench32bh2 AT fischermichael polymorphismofdimethylaminoboranench32bh2 AT leymortenbrix polymorphismofdimethylaminoboranench32bh2 AT weidenthalerclaudia polymorphismofdimethylaminoboranench32bh2 |