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Title: Crystal structure of 2-azido-1 H -imidazole-4,5-dicarbonitrile

We report that in the title compound, C5HN7, the nitrile and azido substituents are close to being coplanar with the central ring. Molecules in the crystal are linked via an N—H...N hydrogen bond to a nitrile acceptor, forming a chain extending along the c-axis direction.
 [1] ;  [1] ;  [1] ;  [1]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Publication Date:
OSTI Identifier:
Report Number(s):
LA-UR-15-23927; LA-UR-15-23325
Journal ID: ISSN 2056-9890; ACSECI; PII: S2056989015013444
Grant/Contract Number:
Accepted Manuscript
Journal Name:
Acta Crystallographica. Section E, Crystallographic Communications
Additional Journal Information:
Journal Volume: 71; Journal Issue: 9; Journal ID: ISSN 2056-9890
International Union of Crystallography
Research Org:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org:
USDOE National Nuclear Security Administration (NNSA)
Country of Publication:
United States
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Crystal structure; organic chemistry; hydrogen bonding; 2-azido-4,5-dicyano-1H-imidazole; 36 MATERIALS SCIENCE; imidazole; crystal structure; 2-azido-4,5-di­cyano-1H-imidazole