TY - JOUR
T1 - Crystal structures of nitron and its non-stoichiometric hydrochloride
AU - Cannon, Jack R.
AU - Raston, Colin L.
AU - White, Allan H.
PY - 1980
Y1 - 1980
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=0043162044&partnerID=8YFLogxK
U2 - 10.1071/CH9802237
DO - 10.1071/CH9802237
M3 - Article
AN - SCOPUS:0043162044
SN - 0004-9425
VL - 33
SP - 2237
EP - 2247
JO - Australian Journal of Chemistry
JF - Australian Journal of Chemistry
IS - 10
ER -