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

ABSTRACT: In its crystal structure, the title compound, C(9)H(7)NO(3), forms ?-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 ?-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.

SUBMITTER: Deifel NP

PROVIDER: S-EPMC2983695 | biostudies-literature | 2010 Feb

REPOSITORIES: biostudies-literature

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

Deifel Nicholas P NP Cherney Emily E Hunt David A DA Chan Benny C BC

Acta crystallographica. Section E, Structure reports online 20100220 Pt 3

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. ...[more]

PMID: 21580413

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