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

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

The title compound, C13H12ClN7, 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&...

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Main Authors: Hong Luo, Jun-Kai Ma, Jing Xu, Dong-Feng Pan, Zuan Ma
Format: Article
Language:English
Published: International Union of Crystallography 2009-12-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536809048168
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spelling doaj-595a10762477492f92050b12742e70c62020-11-25T01:56:48ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682009-12-016512o3195o319510.1107/S16005368090481686-Allyl-3-(6-chloro-3-pyridylmethyl)-6,7-dihydro-3H-1,2,3-triazolo[4,5-d]pyrimidin-7-imineHong LuoJun-Kai MaJing XuDong-Feng PanZuan MaThe title compound, C13H12ClN7, 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)=CH2 atoms were resolved over two positions with the major component having a site occupancy factor of 0.539 (4). http://scripts.iucr.org/cgi-bin/paper?S1600536809048168
collection DOAJ
language English
format Article
sources DOAJ
author Hong Luo
Jun-Kai Ma
Jing Xu
Dong-Feng Pan
Zuan Ma
spellingShingle Hong Luo
Jun-Kai Ma
Jing Xu
Dong-Feng Pan
Zuan Ma
6-Allyl-3-(6-chloro-3-pyridylmethyl)-6,7-dihydro-3H-1,2,3-triazolo[4,5-d]pyrimidin-7-imine
Acta Crystallographica Section E
author_facet Hong Luo
Jun-Kai Ma
Jing Xu
Dong-Feng Pan
Zuan Ma
author_sort Hong Luo
title 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_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_sort 6-allyl-3-(6-chloro-3-pyridylmethyl)-6,7-dihydro-3h-1,2,3-triazolo[4,5-d]pyrimidin-7-imine
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2009-12-01
description The title compound, C13H12ClN7, 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)=CH2 atoms were resolved over two positions with the major component having a site occupancy factor of 0.539 (4).
url http://scripts.iucr.org/cgi-bin/paper?S1600536809048168
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AT junkaima 6allyl36chloro3pyridylmethyl67dihydro3h123triazolo45dpyrimidin7imine
AT jingxu 6allyl36chloro3pyridylmethyl67dihydro3h123triazolo45dpyrimidin7imine
AT dongfengpan 6allyl36chloro3pyridylmethyl67dihydro3h123triazolo45dpyrimidin7imine
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