Information card for entry 2228277

Structure parameters

• Common name: 10-Methylisoalloxazine 5-oxide
• Chemical name: 10-methylbenzo[<i>g</i>]pteridine-2,4(3<i>H</i>,10<i>H</i>)-dione 5-oxide
• Formula: C11 H8 N4 O3
• Calculated formula: C11 H8 N4 O3
• SMILES: C1(=O)N=C2C(C(=O)N1)=N(c1ccccc1N2C)=O
• Title of publication: 10-Methylisoalloxazine 5-oxide from synchrotron powder diffraction data
• Authors of publication: Rohlíček, Jan; Cibulka, Radek; Cibulková, Jana; Maixner, Jaroslav; Hušák, Michal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3350 - o3351
• a: 13.8774 ± 0.0006 Å
• b: 14.5321 ± 0.0004 Å
• c: 4.9305 ± 0.0002 Å
• α: 90°
• β: 90.83 ± 0.003°
• γ: 90°
• Cell volume: 994.22 ± 0.06 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Goodness-of-fit parameter for all reflections: 2.67
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.8856 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No