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- W4313647513 abstract "The structure of the title compound, C10H6N4O2, reported by Smalley et al. [(2021). Cryst. Growth Des.22, 524-534] from powder diffraction data and 15N NMR spectroscopy, is confirmed using low-temperature data from a twinned crystal. The tautomer in the solid state is alloxazine (1H-benzo[g]pteridine-2,4-dione) rather than isoalloxazine (10H-benzo[g]pteridine-2,4-dione). In the extended structure, the mol-ecules form hydrogen-bonded chains propagating in the [01] direction through alternating centrosymmetric R22(8) rings with pairwise N-H⋯O inter-actions and centrosymmetric R22(8) rings with pairwise N-H⋯N inter-actions. The crystal chosen for data collection was found to be a non-merohedral twin (180° rotation about [001]) in a 0.446 (4):0.554 (6) domain ratio." @default.
- W4313647513 created "2023-01-07" @default.
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- W4313647513 date "2023-01-06" @default.
- W4313647513 modified "2023-09-26" @default.
- W4313647513 title "1<i>H</i>-Benzo[<i>g</i>]pteridine-2,4-dione" @default.
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- W4313647513 doi "https://doi.org/10.1107/s2414314622012238" @default.
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