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

Abstract

Here, the title compound, C 3H 2N 4O 4, 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. doi:10.1107/S2056989015013432.
Windler, G. Kenneth, Scott, Brian L., Tomson, Neil C., and Leonard, Philip W. Thu . "Crystal structure of 4,5-dinitro-1 H-imidazole". United States. doi: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},
journal = {Acta Crystallographica. Section E, Crystallographic Communications},
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}
}

Journal Article:
Free Publicly Available Full Text
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Works referenced in this record:

Structure validation in chemical crystallography
journal, January 2009

  • Spek, Anthony L.
  • Acta Crystallographica Section D Biological Crystallography, Vol. 65, Issue 2, p. 148-155
  • DOI: 10.1107/S090744490804362X

A short history of SHELX
journal, December 2007

  • Sheldrick, George M.
  • Acta Crystallographica Section A Foundations of Crystallography, Vol. 64, Issue 1, p. 112-122
  • DOI: 10.1107/S0108767307043930