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Title: Crystal structure of 4,5-dinitro-1 H-imidazole

Abstract

Here, the title compound, C3H2N4O4, forms crystals with two molecules in the asymmetric unit which are conformationally similar. With the exception of the O atoms of the nitro groups, the molecules are essentially planar. In the crystal, adjacent molecules are associated by N—H...N hydrogen bonds involving the imidazole N—H donors and N-atom acceptors of the unsaturated nitrogen of neighboring rings, forming layers parallel to (010).

Authors:
 [1];  [1];  [1];  [1]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1255240
Report Number(s):
LA-UR-15-23929
Journal ID: ISSN 2056-9890; ACSECI; PII: S2056989015013432
Grant/Contract Number:  
AC52-06NA25396
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Acta Crystallographica. Section E, Crystallographic Communications
Additional Journal Information:
Journal Volume: 71; Journal Issue: 9; Journal ID: ISSN 2056-9890
Publisher:
International Union of Crystallography
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; organic chemistry; crystal structure; 4,5-dinitro-1 H-imidazole; hydrogen bonding

Citation Formats

Windler, G. Kenneth, Scott, Brian L., Tomson, Neil C., and Leonard, Philip W. Crystal structure of 4,5-dinitro-1 H-imidazole. United States: N. p., 2015. Web. doi:10.1107/S2056989015013432.
Windler, G. Kenneth, Scott, Brian L., Tomson, Neil C., & Leonard, Philip W. Crystal structure of 4,5-dinitro-1 H-imidazole. United States. https://doi.org/10.1107/S2056989015013432
Windler, G. Kenneth, Scott, Brian L., Tomson, Neil C., and Leonard, Philip W. 2015. "Crystal structure of 4,5-dinitro-1 H-imidazole". United States. https://doi.org/10.1107/S2056989015013432. https://www.osti.gov/servlets/purl/1255240.
@article{osti_1255240,
title = {Crystal structure of 4,5-dinitro-1 H-imidazole},
author = {Windler, G. Kenneth and Scott, Brian L. and Tomson, Neil C. and Leonard, Philip W.},
abstractNote = {Here, the title compound, C3H2N4O4, forms crystals with two molecules in the asymmetric unit which are conformationally similar. With the exception of the O atoms of the nitro groups, the molecules are essentially planar. In the crystal, adjacent molecules are associated by N—H...N hydrogen bonds involving the imidazole N—H donors and N-atom acceptors of the unsaturated nitrogen of neighboring rings, forming layers parallel to (010).},
doi = {10.1107/S2056989015013432},
url = {https://www.osti.gov/biblio/1255240}, journal = {Acta Crystallographica. Section E, Crystallographic Communications},
issn = {2056-9890},
number = 9,
volume = 71,
place = {United States},
year = {Thu Jan 01 00:00:00 EST 2015},
month = {Thu Jan 01 00:00:00 EST 2015}
}

Works referenced in this record:

Mercury CSD 2.0 – new features for the visualization and investigation of crystal structures
journal, March 2008


Crystal structure of 2-azido-1 H -imidazole-4,5-dicarbonitrile
journal, August 2015


Structure validation in chemical crystallography
journal, January 2009


Crystal structure of 2-diazoimidazole-4,5-dicarbonitrile
journal, June 2015


Synthese des Imidazolyl-äthylamins
journal, June 1907


A short history of SHELX
journal, December 2007


WinGX and ORTEP for Windows : an update
journal, July 2012