10-Methyl-isoalloxazine 5-oxide from synchrotron powder diffraction data

10-Methyl-isoalloxazine 5-oxide from synchrotron powder diffraction data

THE TITLE COMPOUND [SYSTEMATIC NAME: 10-methyl-benzo[g]pteridine-2,4(3H,10H)-dione 5-oxide], C(11)H(8)N(4)O(3), consists of a large rigid isoalloxazine group which is approximately planar (r.m.s. deviation = 0.037 Å). In the crystal, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into cent...

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Veröffentlicht in:Acta crystallographica. Section E, Structure reports online Structure reports online, 2010-11, Vol.66 (Pt 12), p.o3350-o3351
Hauptverfasser: Rohlíček, Jan, Cibulka, Radek, Cibulková, Jana, Maixner, Jaroslav, Hušák, Michal
Format: Artikel
Sprache:eng
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Organic Papers
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Zusammenfassung:THE TITLE COMPOUND [SYSTEMATIC NAME: 10-methyl-benzo[g]pteridine-2,4(3H,10H)-dione 5-oxide], C(11)H(8)N(4)O(3), consists of a large rigid isoalloxazine group which is approximately planar (r.m.s. deviation = 0.037 Å). In the crystal, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers. Dimers related by translation along the c axis form stacks through π-π inter-actions [centroid-centroid distances = 3.560 (5) and 3.542 (5) Å]. Weak inter-molecular C-H⋯O inter-actions further consolidate the crystal packing.
ISSN:1600-5368
DOI:10.1107/S1600536810048932