The crystal structures of four di­meth­oxy­benzaldehyde isomers

The crystal structures of four di­meth­oxy­benzaldehyde (C(9)H(10)O(3)) isomers, namely the 2,3-, 2,4-, 2,5- and 3,5- isomers, are reported and compared to the previously reported crystal structures of 3,4-di­meth­oxy­benzaldehyde and 2,6-di­meth­oxy­benzaldehyde. All di­meth­oxy­benzaldehyde mol­ec...

Descripción completa

Detalles Bibliográficos
Autores principales: Brugman, Sander J. T., Engwerda, Anthonius H. J., Kalkman, Emma, de Ronde, Erik, Tinnemans, Paul, Vlieg, Elias
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6323868/
https://www.ncbi.nlm.nih.gov/pubmed/30713730
http://dx.doi.org/10.1107/S2056989018017152
_version_ 1783385857757020160
author Brugman, Sander J. T.
Engwerda, Anthonius H. J.
Kalkman, Emma
de Ronde, Erik
Tinnemans, Paul
Vlieg, Elias
author_facet Brugman, Sander J. T.
Engwerda, Anthonius H. J.
Kalkman, Emma
de Ronde, Erik
Tinnemans, Paul
Vlieg, Elias
author_sort Brugman, Sander J. T.
collection PubMed
description The crystal structures of four di­meth­oxy­benzaldehyde (C(9)H(10)O(3)) isomers, namely the 2,3-, 2,4-, 2,5- and 3,5- isomers, are reported and compared to the previously reported crystal structures of 3,4-di­meth­oxy­benzaldehyde and 2,6-di­meth­oxy­benzaldehyde. All di­meth­oxy­benzaldehyde mol­ecules in the crystal structures are nearly planar. The largest deviation (1.2 Å) from the aromatic plane is found for one of the meth­oxy groups of 2,3-di­meth­oxy­benzaldehyde. Upon rapid cooling of 3,4-di­meth­oxy­benzaldehyde and 3,5-di­meth­oxy­benzaldehyde, a metastable polymorph is formed. The crystal studied for the 3,5- isomer was refined as a two-component twin.
format Online
Article
Text
id pubmed-6323868
institution National Center for Biotechnology Information
language English
publishDate 2019
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-63238682019-02-01 The crystal structures of four di­meth­oxy­benzaldehyde isomers Brugman, Sander J. T. Engwerda, Anthonius H. J. Kalkman, Emma de Ronde, Erik Tinnemans, Paul Vlieg, Elias Acta Crystallogr E Crystallogr Commun Research Communications The crystal structures of four di­meth­oxy­benzaldehyde (C(9)H(10)O(3)) isomers, namely the 2,3-, 2,4-, 2,5- and 3,5- isomers, are reported and compared to the previously reported crystal structures of 3,4-di­meth­oxy­benzaldehyde and 2,6-di­meth­oxy­benzaldehyde. All di­meth­oxy­benzaldehyde mol­ecules in the crystal structures are nearly planar. The largest deviation (1.2 Å) from the aromatic plane is found for one of the meth­oxy groups of 2,3-di­meth­oxy­benzaldehyde. Upon rapid cooling of 3,4-di­meth­oxy­benzaldehyde and 3,5-di­meth­oxy­benzaldehyde, a metastable polymorph is formed. The crystal studied for the 3,5- isomer was refined as a two-component twin. International Union of Crystallography 2019-01-01 /pmc/articles/PMC6323868/ /pubmed/30713730 http://dx.doi.org/10.1107/S2056989018017152 Text en © Brugman et al. 2019 http://creativecommons.org/licenses/by/2.0/uk/ 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.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Brugman, Sander J. T.
Engwerda, Anthonius H. J.
Kalkman, Emma
de Ronde, Erik
Tinnemans, Paul
Vlieg, Elias
The crystal structures of four di­meth­oxy­benzaldehyde isomers
title The crystal structures of four di­meth­oxy­benzaldehyde isomers
title_full The crystal structures of four di­meth­oxy­benzaldehyde isomers
title_fullStr The crystal structures of four di­meth­oxy­benzaldehyde isomers
title_full_unstemmed The crystal structures of four di­meth­oxy­benzaldehyde isomers
title_short The crystal structures of four di­meth­oxy­benzaldehyde isomers
title_sort crystal structures of four di­meth­oxy­benzaldehyde isomers
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6323868/
https://www.ncbi.nlm.nih.gov/pubmed/30713730
http://dx.doi.org/10.1107/S2056989018017152
work_keys_str_mv AT brugmansanderjt thecrystalstructuresoffourdimethoxybenzaldehydeisomers
AT engwerdaanthoniushj thecrystalstructuresoffourdimethoxybenzaldehydeisomers
AT kalkmanemma thecrystalstructuresoffourdimethoxybenzaldehydeisomers
AT derondeerik thecrystalstructuresoffourdimethoxybenzaldehydeisomers
AT tinnemanspaul thecrystalstructuresoffourdimethoxybenzaldehydeisomers
AT vliegelias thecrystalstructuresoffourdimethoxybenzaldehydeisomers
AT brugmansanderjt crystalstructuresoffourdimethoxybenzaldehydeisomers
AT engwerdaanthoniushj crystalstructuresoffourdimethoxybenzaldehydeisomers
AT kalkmanemma crystalstructuresoffourdimethoxybenzaldehydeisomers
AT derondeerik crystalstructuresoffourdimethoxybenzaldehydeisomers
AT tinnemanspaul crystalstructuresoffourdimethoxybenzaldehydeisomers
AT vliegelias crystalstructuresoffourdimethoxybenzaldehydeisomers

Ejemplares similares