The crystal structures of four dimethoxybenzaldehyde isomers

The crystal structures of four dimethoxybenzaldehyde isomers

The crystal structures of four dimethoxybenzaldehyde (C9H10O3) 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...

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Main Authors: Sander J. T. Brugman, Anthonius H. J. Engwerda, Emma Kalkman, Erik de Ronde, Paul Tinnemans, Elias Vlieg
Format: Article
Language:English
Published: International Union of Crystallography 2019-01-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
dimethoxybenzaldehyde
polymorphism
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989018017152
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spelling doaj-9ea4222e730645c2a7df70d2fbd23b192020-11-24T23:02:02ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902019-01-01751384210.1107/S2056989018017152zp2031The crystal structures of four dimethoxybenzaldehyde isomersSander J. T. Brugman0Anthonius H. J. Engwerda1Emma Kalkman2Erik de Ronde3Paul Tinnemans4Elias Vlieg5Radboud University, Institute for Molecules and Materials, Heyendaalseweg 135, 6525 AJ Nijmegen, The NetherlandsRadboud University, Institute for Molecules and Materials, Heyendaalseweg 135, 6525 AJ Nijmegen, The NetherlandsRadboud University, Institute for Molecules and Materials, Heyendaalseweg 135, 6525 AJ Nijmegen, The NetherlandsRadboud University, Institute for Molecules and Materials, Heyendaalseweg 135, 6525 AJ Nijmegen, The NetherlandsRadboud University, Institute for Molecules and Materials, Heyendaalseweg 135, 6525 AJ Nijmegen, The NetherlandsRadboud University, Institute for Molecules and Materials, Heyendaalseweg 135, 6525 AJ Nijmegen, The NetherlandsThe crystal structures of four dimethoxybenzaldehyde (C9H10O3) 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.http://scripts.iucr.org/cgi-bin/paper?S2056989018017152crystal structuredimethoxybenzaldehydepolymorphism
collection DOAJ
language English
format Article
sources DOAJ
author Sander J. T. Brugman
Anthonius H. J. Engwerda
Emma Kalkman
Erik de Ronde
Paul Tinnemans
Elias Vlieg
spellingShingle Sander J. T. Brugman
Anthonius H. J. Engwerda
Emma Kalkman
Erik de Ronde
Paul Tinnemans
Elias Vlieg
The crystal structures of four dimethoxybenzaldehyde isomers
Acta Crystallographica Section E: Crystallographic Communications
crystal structure
dimethoxybenzaldehyde
polymorphism
author_facet Sander J. T. Brugman
Anthonius H. J. Engwerda
Emma Kalkman
Erik de Ronde
Paul Tinnemans
Elias Vlieg
author_sort Sander J. T. Brugman
title The crystal structures of four dimethoxybenzaldehyde isomers
title_short 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_sort crystal structures of four dimethoxybenzaldehyde isomers
publisher International Union of Crystallography
series Acta Crystallographica Section E: Crystallographic Communications
issn 2056-9890
publishDate 2019-01-01
description The crystal structures of four dimethoxybenzaldehyde (C9H10O3) 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.
topic crystal structure
dimethoxybenzaldehyde
polymorphism
url http://scripts.iucr.org/cgi-bin/paper?S2056989018017152
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