10-Methylisoalloxazine 5-oxide from synchrotron powder diffraction data

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], C11H8N4O3, 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 bo...

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Main Authors: Michal Hušák, Jaroslav Maixner, Jan Rohlíček, Jana Cibulková, Radek Cibulka
Format: Article
Language:English
Published: International Union of Crystallography 2010-12-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536810048932
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spelling doaj-17286876e96e4a70a4a8d4fe0129d3692020-11-24T21:28:57ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682010-12-016612o3350o335110.1107/S160053681004893210-Methylisoalloxazine 5-oxide from synchrotron powder diffraction dataMichal HušákJaroslav MaixnerJan RohlíčekJana CibulkováRadek CibulkaThe title compound [systematic name: 10-methylbenzo[g]pteridine-2,4(3H,10H)-dione 5-oxide], C11H8N4O3, 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. http://scripts.iucr.org/cgi-bin/paper?S1600536810048932
collection DOAJ
language English
format Article
sources DOAJ
author Michal Hušák
Jaroslav Maixner
Jan Rohlíček
Jana Cibulková
Radek Cibulka
spellingShingle Michal Hušák
Jaroslav Maixner
Jan Rohlíček
Jana Cibulková
Radek Cibulka
10-Methylisoalloxazine 5-oxide from synchrotron powder diffraction data
Acta Crystallographica Section E
author_facet Michal Hušák
Jaroslav Maixner
Jan Rohlíček
Jana Cibulková
Radek Cibulka
author_sort Michal Hušák
title 10-Methylisoalloxazine 5-oxide from synchrotron powder diffraction data
title_short 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_sort 10-methylisoalloxazine 5-oxide from synchrotron powder diffraction data
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2010-12-01
description The title compound [systematic name: 10-methylbenzo[g]pteridine-2,4(3H,10H)-dione 5-oxide], C11H8N4O3, 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.
url http://scripts.iucr.org/cgi-bin/paper?S1600536810048932
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AT janacibulkovamp225 10methylisoalloxazine5oxidefromsynchrotronpowderdiffractiondata
AT radekcibulka 10methylisoalloxazine5oxidefromsynchrotronpowderdiffractiondata
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