10-Methyl­isoalloxazine 5-oxide from synchrotron powder diffraction data

The title compound [systematic name: 10-methyl­benzo[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, inter­molecular N—H⋯O hydrogen bonds link the mol­ecules into cent...

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Autores principales: Rohlíček, Jan, Cibulka, Radek, Cibulková, Jana, Maixner, Jaroslav, Hušák, Michal
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011510/
https://www.ncbi.nlm.nih.gov/pubmed/21589621
http://dx.doi.org/10.1107/S1600536810048932
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author Rohlíček, Jan
Cibulka, Radek
Cibulková, Jana
Maixner, Jaroslav
Hušák, Michal
author_facet Rohlíček, Jan
Cibulka, Radek
Cibulková, Jana
Maixner, Jaroslav
Hušák, Michal
author_sort Rohlíček, Jan
collection PubMed
description The title compound [systematic name: 10-methyl­benzo[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, inter­molecular N—H⋯O hydrogen bonds link the mol­ecules into centrosymmetric dimers. Dimers related by translation along the c axis form stacks through π–π inter­actions [centroid–centroid distances = 3.560 (5) and 3.542 (5) Å]. Weak inter­molecular C—H⋯O inter­actions further consolidate the crystal packing.
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spelling pubmed-30115102010-12-30 10-Methyl­isoalloxazine 5-oxide from synchrotron powder diffraction data Rohlíček, Jan Cibulka, Radek Cibulková, Jana Maixner, Jaroslav Hušák, Michal Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound [systematic name: 10-methyl­benzo[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, inter­molecular N—H⋯O hydrogen bonds link the mol­ecules into centrosymmetric dimers. Dimers related by translation along the c axis form stacks through π–π inter­actions [centroid–centroid distances = 3.560 (5) and 3.542 (5) Å]. Weak inter­molecular C—H⋯O inter­actions further consolidate the crystal packing. International Union of Crystallography 2010-11-27 /pmc/articles/PMC3011510/ /pubmed/21589621 http://dx.doi.org/10.1107/S1600536810048932 Text en © Rohlíček et al. 2010 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Rohlíček, Jan
Cibulka, Radek
Cibulková, Jana
Maixner, Jaroslav
Hušák, Michal
10-Methyl­isoalloxazine 5-oxide from synchrotron powder diffraction data
title 10-Methyl­isoalloxazine 5-oxide from synchrotron powder diffraction data
title_full 10-Methyl­isoalloxazine 5-oxide from synchrotron powder diffraction data
title_fullStr 10-Methyl­isoalloxazine 5-oxide from synchrotron powder diffraction data
title_full_unstemmed 10-Methyl­isoalloxazine 5-oxide from synchrotron powder diffraction data
title_short 10-Methyl­isoalloxazine 5-oxide from synchrotron powder diffraction data
title_sort 10-methyl­isoalloxazine 5-oxide from synchrotron powder diffraction data
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011510/
https://www.ncbi.nlm.nih.gov/pubmed/21589621
http://dx.doi.org/10.1107/S1600536810048932
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AT maixnerjaroslav 10methylisoalloxazine5oxidefromsynchrotronpowderdiffractiondata
AT husakmichal 10methylisoalloxazine5oxidefromsynchrotronpowderdiffractiondata

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