1-Methyl-4H-3,1-benzoxazine-2,4(1H)dione

In its crystal structure, the title compound, C(9)H(7)NO(3), forms π-stacked dimers, with a centroid-centroid distance of 3.475 (5) Å between the benzenoid and the 2,4 dicarbonyl oxazine rings. These dimers then form staircase-like linear chains through further π-stacking between the benzenoid rings...

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Bibliographic Details
Published inActa crystallographica. Section E, Structure reports online Vol. 66; no. Pt 3; p. o665
Main Authors Deifel, Nicholas P, Cherney, Emily, Hunt, David A, Chan, Benny C
Format Journal Article
LanguageEnglish
Published United States International Union of Crystallography 20.02.2010
Subjects
Organic Papers
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Summary:In its crystal structure, the title compound, C(9)H(7)NO(3), forms π-stacked dimers, with a centroid-centroid distance of 3.475 (5) Å between the benzenoid and the 2,4 dicarbonyl oxazine rings. These dimers then form staircase-like linear chains through further π-stacking between the benzenoid rings [centroid-centroid distance of 3.761 (2) Å]. The methyl-H atoms are disordered due to rotation about the C-N bond and were modeled with equal occupancy.
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ISSN:1600-5368
1600-5368
DOI:10.1107/S1600536810006094