期刊
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
卷 73, 期 -, 页码 1344-+出版社
INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S2056989017011537
关键词
crystal structure; redetermination; hydrogen bonding; symmetric hydrogen bonds; refinement constraints; refinement restraints; Cambridge Structural Database
资金
- Czech Science Foundation [15-12653S]
The structure of the title molecular salt, C10H13N4+center dot N-3(-), has been redetermined from the data published by Qian & Huang [Acta Cryst. (2010), E66, o3086; refcode WACMIY (Groom et al., 2016)]. The improvement of the present redetermination consists in a correction of the site-occupancy parameter of the bridging H atom between the pyridine rings, as well as of its position. The present study has shown that the bridging H atom (site symmetry 2) is involved in a symmetric N center dot center dot center dot H center dot center dot center dot N hydrogen bond, which is one of the longest ever observed [N center dot center dot center dot N = 2.678 (3) angstrom]. In addition, there are also present weaker N-am-H center dot center dot center dot N-az hydrogen bonds (am = amine and az = azide) of moderate strength and pi-electron pyridine center dot center dot center dot pi-electron interactions in the structure. All the azide N atoms also lie on a twofold axis.
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