6-Allyl-3-(6-chloro-3-pyridylmeth­yl)-6,7-dihydro-3H-1,2,3-triazolo[4,5-d]pyrimidin-7-imine

The title compound, C(13)H(12)ClN(7), crystallizes with two independent mol­ecules in the asymmetric unit, each with similar geometries. The dihedral angles between the triazole and pyrimidine rings are 0.45 (9) and 1.00 (10)° in the two mol­ecules. A number of N—H⋯N hydrogen bonds co-operate with C...

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Detalles Bibliográficos
Autores principales: Pan, Dong-Feng, Xu, Jing, Ma, Jun-Kai, Luo, Hong, Ma, Zuan
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971826/
https://www.ncbi.nlm.nih.gov/pubmed/21578906
http://dx.doi.org/10.1107/S1600536809048168
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author Pan, Dong-Feng
Xu, Jing
Ma, Jun-Kai
Luo, Hong
Ma, Zuan
author_facet Pan, Dong-Feng
Xu, Jing
Ma, Jun-Kai
Luo, Hong
Ma, Zuan
author_sort Pan, Dong-Feng
collection PubMed
description The title compound, C(13)H(12)ClN(7), crystallizes with two independent mol­ecules in the asymmetric unit, each with similar geometries. The dihedral angles between the triazole and pyrimidine rings are 0.45 (9) and 1.00 (10)° in the two mol­ecules. A number of N—H⋯N hydrogen bonds co-operate with C–H⋯N contacts, forming a supra­molecular array in the ab plane. C—H⋯π inter­actions are also present. One of the vinyl groups was found to be disordered so that the C(H)=CH(2) atoms were resolved over two positions with the major component having a site occupancy factor of 0.539 (4).
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spelling pubmed-29718262010-12-30 6-Allyl-3-(6-chloro-3-pyridylmeth­yl)-6,7-dihydro-3H-1,2,3-triazolo[4,5-d]pyrimidin-7-imine Pan, Dong-Feng Xu, Jing Ma, Jun-Kai Luo, Hong Ma, Zuan Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(13)H(12)ClN(7), crystallizes with two independent mol­ecules in the asymmetric unit, each with similar geometries. The dihedral angles between the triazole and pyrimidine rings are 0.45 (9) and 1.00 (10)° in the two mol­ecules. A number of N—H⋯N hydrogen bonds co-operate with C–H⋯N contacts, forming a supra­molecular array in the ab plane. C—H⋯π inter­actions are also present. One of the vinyl groups was found to be disordered so that the C(H)=CH(2) atoms were resolved over two positions with the major component having a site occupancy factor of 0.539 (4). International Union of Crystallography 2009-11-25 /pmc/articles/PMC2971826/ /pubmed/21578906 http://dx.doi.org/10.1107/S1600536809048168 Text en © Pan et al. 2009 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
Pan, Dong-Feng
Xu, Jing
Ma, Jun-Kai
Luo, Hong
Ma, Zuan
6-Allyl-3-(6-chloro-3-pyridylmeth­yl)-6,7-dihydro-3H-1,2,3-triazolo[4,5-d]pyrimidin-7-imine
title 6-Allyl-3-(6-chloro-3-pyridylmeth­yl)-6,7-dihydro-3H-1,2,3-triazolo[4,5-d]pyrimidin-7-imine
title_full 6-Allyl-3-(6-chloro-3-pyridylmeth­yl)-6,7-dihydro-3H-1,2,3-triazolo[4,5-d]pyrimidin-7-imine
title_fullStr 6-Allyl-3-(6-chloro-3-pyridylmeth­yl)-6,7-dihydro-3H-1,2,3-triazolo[4,5-d]pyrimidin-7-imine
title_full_unstemmed 6-Allyl-3-(6-chloro-3-pyridylmeth­yl)-6,7-dihydro-3H-1,2,3-triazolo[4,5-d]pyrimidin-7-imine
title_short 6-Allyl-3-(6-chloro-3-pyridylmeth­yl)-6,7-dihydro-3H-1,2,3-triazolo[4,5-d]pyrimidin-7-imine
title_sort 6-allyl-3-(6-chloro-3-pyridylmeth­yl)-6,7-dihydro-3h-1,2,3-triazolo[4,5-d]pyrimidin-7-imine
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971826/
https://www.ncbi.nlm.nih.gov/pubmed/21578906
http://dx.doi.org/10.1107/S1600536809048168
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