Crystal structure of 9-(di­bromo­meth­yl)-1,1-di­fluoro-3,7-dimethyl-1H-[1,3,5,2]oxadi­aza­borinino[3,4-a][1,8]naphthyridin-11-ium-1-uide

The mol­ecule of the title 1,8-naphthyridine-BF(2) derivative, C(12)H(10)BBr(2)F(2)N(3)O, is located on a mirror plane running parallel to the entire ring system and the attached methyl C atoms. Individual mol­ecules are stacked along the b-axis direction. The cohesion in the crystal structure is ac...

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Autores principales: Wang, Bang Zhong, Zhou, Jun Ping, Zhou, Yong, Luo, Jian Song, Chi, Shao Ming
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5095851/
https://www.ncbi.nlm.nih.gov/pubmed/27840726
http://dx.doi.org/10.1107/S2056989016016704
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author Wang, Bang Zhong
Zhou, Jun Ping
Zhou, Yong
Luo, Jian Song
Chi, Shao Ming
author_facet Wang, Bang Zhong
Zhou, Jun Ping
Zhou, Yong
Luo, Jian Song
Chi, Shao Ming
author_sort Wang, Bang Zhong
collection PubMed
description The mol­ecule of the title 1,8-naphthyridine-BF(2) derivative, C(12)H(10)BBr(2)F(2)N(3)O, is located on a mirror plane running parallel to the entire ring system and the attached methyl C atoms. Individual mol­ecules are stacked along the b-axis direction. The cohesion in the crystal structure is accomplished by C—H⋯F hydrogen bonds and additional off-set π–π inter­actions [centroid-to-centroid distance = 3.6392 (9) Å, slippage 0.472 Å], leading to the formation of a three-dimensional supra­molecular network.
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spelling pubmed-50958512016-11-11 Crystal structure of 9-(di­bromo­meth­yl)-1,1-di­fluoro-3,7-dimethyl-1H-[1,3,5,2]oxadi­aza­borinino[3,4-a][1,8]naphthyridin-11-ium-1-uide Wang, Bang Zhong Zhou, Jun Ping Zhou, Yong Luo, Jian Song Chi, Shao Ming Acta Crystallogr E Crystallogr Commun Research Communications The mol­ecule of the title 1,8-naphthyridine-BF(2) derivative, C(12)H(10)BBr(2)F(2)N(3)O, is located on a mirror plane running parallel to the entire ring system and the attached methyl C atoms. Individual mol­ecules are stacked along the b-axis direction. The cohesion in the crystal structure is accomplished by C—H⋯F hydrogen bonds and additional off-set π–π inter­actions [centroid-to-centroid distance = 3.6392 (9) Å, slippage 0.472 Å], leading to the formation of a three-dimensional supra­molecular network. International Union of Crystallography 2016-10-25 /pmc/articles/PMC5095851/ /pubmed/27840726 http://dx.doi.org/10.1107/S2056989016016704 Text en © Wang et al. 2016 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 Research Communications
Wang, Bang Zhong
Zhou, Jun Ping
Zhou, Yong
Luo, Jian Song
Chi, Shao Ming
Crystal structure of 9-(di­bromo­meth­yl)-1,1-di­fluoro-3,7-dimethyl-1H-[1,3,5,2]oxadi­aza­borinino[3,4-a][1,8]naphthyridin-11-ium-1-uide
title Crystal structure of 9-(di­bromo­meth­yl)-1,1-di­fluoro-3,7-dimethyl-1H-[1,3,5,2]oxadi­aza­borinino[3,4-a][1,8]naphthyridin-11-ium-1-uide
title_full Crystal structure of 9-(di­bromo­meth­yl)-1,1-di­fluoro-3,7-dimethyl-1H-[1,3,5,2]oxadi­aza­borinino[3,4-a][1,8]naphthyridin-11-ium-1-uide
title_fullStr Crystal structure of 9-(di­bromo­meth­yl)-1,1-di­fluoro-3,7-dimethyl-1H-[1,3,5,2]oxadi­aza­borinino[3,4-a][1,8]naphthyridin-11-ium-1-uide
title_full_unstemmed Crystal structure of 9-(di­bromo­meth­yl)-1,1-di­fluoro-3,7-dimethyl-1H-[1,3,5,2]oxadi­aza­borinino[3,4-a][1,8]naphthyridin-11-ium-1-uide
title_short Crystal structure of 9-(di­bromo­meth­yl)-1,1-di­fluoro-3,7-dimethyl-1H-[1,3,5,2]oxadi­aza­borinino[3,4-a][1,8]naphthyridin-11-ium-1-uide
title_sort crystal structure of 9-(di­bromo­meth­yl)-1,1-di­fluoro-3,7-dimethyl-1h-[1,3,5,2]oxadi­aza­borinino[3,4-a][1,8]naphthyridin-11-ium-1-uide
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5095851/
https://www.ncbi.nlm.nih.gov/pubmed/27840726
http://dx.doi.org/10.1107/S2056989016016704
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