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Crystal structure of 9-(di-bromo-meth-yl)-1,1-di-fluoro-3,7-dimethyl-1H-[1,3,5,2]oxadi-aza-borinino[3,4-a][1,8]naphthyridin-11-ium-1-uide.

ABSTRACT: The mol-ecule of the title 1,8-naphthyridine-BF₂ derivative, C₁₂H₁₀BBr₂F₂N₃O, is located on a mirror plane running parallel to the entire ring system and the attached methyl C atoms. Individual mol-ecules 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 inter-actions [centroid-to-centroid distance = 3.6392 (9) Å, slippage 0.472 Å], leading to the formation of a three-dimensional supra-molecular network.

SUBMITTER: Wang BZ

PROVIDER: S-EPMC5095851 | biostudies-literature | 2016 Nov

REPOSITORIES: biostudies-literature

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Crystal structure of 9-(di-bromo-meth-yl)-1,1-di-fluoro-3,7-dimethyl-1H-[1,3,5,2]oxadi-aza-borinino[3,4-a][1,8]naphthyridin-11-ium-1-uide.

Wang Bang Zhong BZ Zhou Jun Ping JP Zhou Yong Y Luo Jian Song JS Chi Shao Ming SM

Acta crystallographica. Section E, Crystallographic communications 20161025 Pt 11

The mol-ecule of the title 1,8-naphthyridine-BF2 derivative, C12H10BBr2F2N3O, is located on a mirror plane running parallel to the entire ring system and the attached methyl C atoms. Individual mol-ecules 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 inter-actions [centroid-to-centroid distance = 3.6392 (9) Å, slippage 0.472 Å ...[more]

PMID: 27840726

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