Crystal structure of (1S,4S)-2,5-diazo­niabi­cyclo[2.2.1]heptane dibromide

Acta Crystallographica Section E: Crystallographic Communications

Britvin, S.N.¹  Rumyantsev, A.M.² 

[1] Department of Crystallography, Saint-Petersburg State University, Universitetskaya Nab. 7/9, 199034 St. Petersburg, Russian Federation;Department of Genetics and Biotechnology, Saint-Petersburg State University, Universitetskaya Nab. 7/9, 199034 St. Petersburg, Russian Federation

关键词: CRYSTAL STRUCTURE;    2,5-DIAZABICYCLO[2.2.1]HEPTANE;    BICYCLIC AMINE;    DIAMINE;    PIPERAZINE;    BRIDGED HETEROCYCLE;   

DOI  :  10.1107/S2056989017015870

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The cage of 2,5-di­aza­bicyclo­[2.2.1]heptane is frequently employed in synthetic chemistry as a rigid bicyclic counterpart of the piperazine ring. The 2,5-di­azabicyclo­[2.2.1]heptane scaffold is incorporated into a variety of compounds having pharmacological and catalytic applications. The unsubstituted parent ring of the system, 2,5-di­aza­bicyclo­[2.2.1]heptane itself, has not been structurally characterized. We herein report on the mol­ecular structure of the parent ring in (1S,4S)-2,5-diazo­niabi­cyclo­[2.2.1]heptane dibromide, C5H12N22+·2Br−. The asymmetric unit contains two crystallographically independent cages of 2,5-di­aza­bicyclo­[2.2.1]heptane. Each cage is protonated at the two nitro­gen sites. The overall charge balance is maintained by four crystallographically independent bromide ions. In the crystal, the components of the structure are linked via a complex three-dimensional network of N—H⋯Br hydrogen bonds.

【 授权许可】

CC BY