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Crystal structure of 2,3-dimethylmaleic anhydride: continuous chains of electrostatic attraction
In the crystal structure of 2,3-dimethylmaleic anhydride, C(6)H(6)O(3), the closest non-bonding intermolecular distances, between the carbonyl C and O atoms of neighboring molecules, were measured as 2.9054 (11) and 3.0509 (11) Å, which are well below the sum of the van der Waals radii for these...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571365/ https://www.ncbi.nlm.nih.gov/pubmed/26396764 http://dx.doi.org/10.1107/S2056989015013419 |
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author | Wiscons, Ren A. Zeller, Matthias Rowsell, Jesse L. C. |
author_facet | Wiscons, Ren A. Zeller, Matthias Rowsell, Jesse L. C. |
author_sort | Wiscons, Ren A. |
collection | PubMed |
description | In the crystal structure of 2,3-dimethylmaleic anhydride, C(6)H(6)O(3), the closest non-bonding intermolecular distances, between the carbonyl C and O atoms of neighboring molecules, were measured as 2.9054 (11) and 3.0509 (11) Å, which are well below the sum of the van der Waals radii for these atoms. These close contacts, as well as packing motifs similar to that of the title compound, were also found in the crystal structure of maleic anhydride itself and other 2,3-disubstituted maleic anhydrides. Computational modeling suggests that this close contact is caused by strong electrostatic interactions between the carbonyl C and O atoms. |
format | Online Article Text |
id | pubmed-4571365 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-45713652015-09-22 Crystal structure of 2,3-dimethylmaleic anhydride: continuous chains of electrostatic attraction Wiscons, Ren A. Zeller, Matthias Rowsell, Jesse L. C. Acta Crystallogr E Crystallogr Commun Research Communications In the crystal structure of 2,3-dimethylmaleic anhydride, C(6)H(6)O(3), the closest non-bonding intermolecular distances, between the carbonyl C and O atoms of neighboring molecules, were measured as 2.9054 (11) and 3.0509 (11) Å, which are well below the sum of the van der Waals radii for these atoms. These close contacts, as well as packing motifs similar to that of the title compound, were also found in the crystal structure of maleic anhydride itself and other 2,3-disubstituted maleic anhydrides. Computational modeling suggests that this close contact is caused by strong electrostatic interactions between the carbonyl C and O atoms. International Union of Crystallography 2015-07-22 /pmc/articles/PMC4571365/ /pubmed/26396764 http://dx.doi.org/10.1107/S2056989015013419 Text en © Wiscons et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Research Communications Wiscons, Ren A. Zeller, Matthias Rowsell, Jesse L. C. Crystal structure of 2,3-dimethylmaleic anhydride: continuous chains of electrostatic attraction |
title | Crystal structure of 2,3-dimethylmaleic anhydride: continuous chains of electrostatic attraction |
title_full | Crystal structure of 2,3-dimethylmaleic anhydride: continuous chains of electrostatic attraction |
title_fullStr | Crystal structure of 2,3-dimethylmaleic anhydride: continuous chains of electrostatic attraction |
title_full_unstemmed | Crystal structure of 2,3-dimethylmaleic anhydride: continuous chains of electrostatic attraction |
title_short | Crystal structure of 2,3-dimethylmaleic anhydride: continuous chains of electrostatic attraction |
title_sort | crystal structure of 2,3-dimethylmaleic anhydride: continuous chains of electrostatic attraction |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571365/ https://www.ncbi.nlm.nih.gov/pubmed/26396764 http://dx.doi.org/10.1107/S2056989015013419 |
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