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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...

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Detalles Bibliográficos
Autores principales: Wiscons, Ren A., Zeller, Matthias, Rowsell, Jesse L. C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
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
Descripción
Sumario: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.