(E)-9-(But-2-en-1-yl)-6-chloro-9H-purine

The asymmetric unit of the title compound, C(9)H(9)ClN(4), contains two mol­ecules. In the crystal, the mol­ecules are ordered in a chain-like fashion along the a axis, and form layers offset relative to the C plane by approximately 30°. This ordering does not, however, appear to be directed by clas...

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Detalles Bibliográficos
Autores principales: Lundvall, Fredrik, Kania, Jindrich, Gundersen, Lise-Lotte
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3684933/
https://www.ncbi.nlm.nih.gov/pubmed/23795035
http://dx.doi.org/10.1107/S1600536813010416
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author Lundvall, Fredrik
Kania, Jindrich
Gundersen, Lise-Lotte
author_facet Lundvall, Fredrik
Kania, Jindrich
Gundersen, Lise-Lotte
author_sort Lundvall, Fredrik
collection PubMed
description The asymmetric unit of the title compound, C(9)H(9)ClN(4), contains two mol­ecules. In the crystal, the mol­ecules are ordered in a chain-like fashion along the a axis, and form layers offset relative to the C plane by approximately 30°. This ordering does not, however, appear to be directed by classical hydrogen bonding.The allylic side chains of both independent mol­ecules are disordered, with occupancies of 0.870 (4) and 0.934 (3) for the major components. The disorder components represent two possible spatial orientations of the atoms around the C=C double bond.
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spelling pubmed-36849332013-06-21 (E)-9-(But-2-en-1-yl)-6-chloro-9H-purine Lundvall, Fredrik Kania, Jindrich Gundersen, Lise-Lotte Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(9)H(9)ClN(4), contains two mol­ecules. In the crystal, the mol­ecules are ordered in a chain-like fashion along the a axis, and form layers offset relative to the C plane by approximately 30°. This ordering does not, however, appear to be directed by classical hydrogen bonding.The allylic side chains of both independent mol­ecules are disordered, with occupancies of 0.870 (4) and 0.934 (3) for the major components. The disorder components represent two possible spatial orientations of the atoms around the C=C double bond. International Union of Crystallography 2013-05-11 /pmc/articles/PMC3684933/ /pubmed/23795035 http://dx.doi.org/10.1107/S1600536813010416 Text en © Lundvall et al. 2013 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
Lundvall, Fredrik
Kania, Jindrich
Gundersen, Lise-Lotte
(E)-9-(But-2-en-1-yl)-6-chloro-9H-purine
title (E)-9-(But-2-en-1-yl)-6-chloro-9H-purine
title_full (E)-9-(But-2-en-1-yl)-6-chloro-9H-purine
title_fullStr (E)-9-(But-2-en-1-yl)-6-chloro-9H-purine
title_full_unstemmed (E)-9-(But-2-en-1-yl)-6-chloro-9H-purine
title_short (E)-9-(But-2-en-1-yl)-6-chloro-9H-purine
title_sort (e)-9-(but-2-en-1-yl)-6-chloro-9h-purine
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3684933/
https://www.ncbi.nlm.nih.gov/pubmed/23795035
http://dx.doi.org/10.1107/S1600536813010416
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