Crystal structures of nitron and its non-stoichiometric hydrochloride

Jack R. Cannon, Colin L. Raston, Allan H. White

Research output: Contribution to journalArticlepeer-review

21 Citations (Scopus)


The crystal structures of the hemi-ethanolate of nitron, C20H16N4(C2H6O)0.5, and of a non- stoichiometric hydrochloride of nitron, C20Hi6N4(HCl)1.7(H2O)3.3, have been determined by X-ray diffraction from diffractometer data at 295 K and refined by block diagonal least squares to residuals of 0.069 (2049 ‘observed’ reflections) and 0.055 (1915), respectively. Crystals of the hemi-ethanolate of nitron are monoclinic P21/n, a 12.697(6), b 15.821(5), c 19.064(6) Å, β 108.79(3)°, Z 8. Crystals of the non-stoichiometric hydrochloride of nitron are also monoclinic C2/c, a 25.41(1), b 5.968(6), c 29.40(2) Å, β 103.53(5)°, Z 8. Despite some unusual features in their molecular geometry, these structures are consistent with the mesoionic character of nitron.

Original languageEnglish
Pages (from-to)2237-2247
Number of pages11
JournalAustralian Journal of Chemistry
Issue number10
Publication statusPublished - 1980
Externally publishedYes


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