9-(1,1-Dimethyl-3-oxobut­yl)adenine

The title compound, C(11)H(15)N(5)O, crystallizes with two independent mol­ecules in the asymmetric unit, both of which contain essentially planar imidazole and pyrimidine rings [maximum deviations = 0.002 (2) and 0.026 (2) Å, respectively, for the first mol­ecule, and 0.001 (2) and 0.025 (2) Å for...

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Detalles Bibliográficos
Autores principales: Kong, Dulin, Wu, Mingshu, Li, Huiyan, Ma, Jingya
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983190/
https://www.ncbi.nlm.nih.gov/pubmed/21587476
http://dx.doi.org/10.1107/S1600536810034628
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author Kong, Dulin
Wu, Mingshu
Li, Huiyan
Ma, Jingya
author_facet Kong, Dulin
Wu, Mingshu
Li, Huiyan
Ma, Jingya
author_sort Kong, Dulin
collection PubMed
description The title compound, C(11)H(15)N(5)O, crystallizes with two independent mol­ecules in the asymmetric unit, both of which contain essentially planar imidazole and pyrimidine rings [maximum deviations = 0.002 (2) and 0.026 (2) Å, respectively, for the first mol­ecule, and 0.001 (2) and 0.025 (2) Å for the second]; the dihedral angles between the rings are 2.1 (2) and 1.7 (2)° in the two mol­ecules. The crystal structure is stabilized by inter­molecular N—H⋯N hydrogen bonds, defining chains along a, which are further linked by weak inter­molecular π–π contacts [centroid centroid distance = 3.7989 (16) Å] into planes parallel to (01[Image: see text]).
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spelling pubmed-29831902010-12-30 9-(1,1-Dimethyl-3-oxobut­yl)adenine Kong, Dulin Wu, Mingshu Li, Huiyan Ma, Jingya Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(11)H(15)N(5)O, crystallizes with two independent mol­ecules in the asymmetric unit, both of which contain essentially planar imidazole and pyrimidine rings [maximum deviations = 0.002 (2) and 0.026 (2) Å, respectively, for the first mol­ecule, and 0.001 (2) and 0.025 (2) Å for the second]; the dihedral angles between the rings are 2.1 (2) and 1.7 (2)° in the two mol­ecules. The crystal structure is stabilized by inter­molecular N—H⋯N hydrogen bonds, defining chains along a, which are further linked by weak inter­molecular π–π contacts [centroid centroid distance = 3.7989 (16) Å] into planes parallel to (01[Image: see text]). International Union of Crystallography 2010-09-04 /pmc/articles/PMC2983190/ /pubmed/21587476 http://dx.doi.org/10.1107/S1600536810034628 Text en © Kong 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
Kong, Dulin
Wu, Mingshu
Li, Huiyan
Ma, Jingya
9-(1,1-Dimethyl-3-oxobut­yl)adenine
title 9-(1,1-Dimethyl-3-oxobut­yl)adenine
title_full 9-(1,1-Dimethyl-3-oxobut­yl)adenine
title_fullStr 9-(1,1-Dimethyl-3-oxobut­yl)adenine
title_full_unstemmed 9-(1,1-Dimethyl-3-oxobut­yl)adenine
title_short 9-(1,1-Dimethyl-3-oxobut­yl)adenine
title_sort 9-(1,1-dimethyl-3-oxobut­yl)adenine
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983190/
https://www.ncbi.nlm.nih.gov/pubmed/21587476
http://dx.doi.org/10.1107/S1600536810034628
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AT wumingshu 911dimethyl3oxobutyladenine
AT lihuiyan 911dimethyl3oxobutyladenine
AT majingya 911dimethyl3oxobutyladenine

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