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Crystal structure of 2,3-di-methyl-maleic anhydride: continuous chains of electrostatic attraction.

ABSTRACT: In the crystal structure of 2,3-di-methyl-maleic anhydride, C6H6O3, the closest non-bonding inter-molecular distances, between the carbonyl C and O atoms of neighboring mol-ecules, 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 inter-actions between the carbonyl C and O atoms.

SUBMITTER: Wiscons RA

PROVIDER: S-EPMC4571365 | biostudies-literature | 2015 Aug

REPOSITORIES: biostudies-literature

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Crystal structure of 2,3-di-methyl-maleic anhydride: continuous chains of electrostatic attraction.

Wiscons Ren A RA Zeller Matthias M Rowsell Jesse L C JL

Acta crystallographica. Section E, Crystallographic communications 20150722 Pt 8

In the crystal structure of 2,3-di-methyl-maleic anhydride, C6H6O3, the closest non-bonding inter-molecular distances, between the carbonyl C and O atoms of neighboring mol-ecules, 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 anhydrid ...[more]

PMID: 26396764

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