The synthesis and structure of 1,2,3,4-tetrahydro-2,4,4-trimethyl-8-nitroimidazo[1,5-d] [1,2,4]triazin-1-one,C8H11N5O3: A heterocycle with a rare ring system |
| |
| Authors: | Ramachandra S Hosmane Benjamin B Lim Upali Siriwardane Narayan S Hosmane |
| |
| Institution: | (1) The Laboratory for Chemical Dynamics, Department of Chemistry and Biochemistry, University of Maryland, 21228 Baltimore, Maryland;(2) Department of Chemistry, Southern Methodist University, 75275 Dallas, Texas |
| |
| Abstract: | The title compound (IV) was isolated as a by-product during the course of purification of 4-nitroimidazol-5-(N -methyl)hydrazide (II) by silica gel flash chromatography, employing chloroform-acetone (4:1) as the eluting solvent. The crystals are monoclinic, space groupP21/c,a=7.425(1),b=13.615(2),c=10.359(2) Å, =97.66(1)°,d
caled=1.44 g cm–3, (MoK )=1.06 mm–1,T=298 K. The number of unique reflections=2401, reflections withI 3  (I)=1773;R=0.051,R
w
=0.061. The bond distances inIV are: N-N, 1.419(3); N-C(=0), 1.359(3); N(H)-C(CH3), 1.457(3); N(C)-C(CH3), 1.501(3); N=C, 1.316(3); C=C, 1.368(3), N-C(=N), 1.353(3); N-C(=C), 1.367(2) Å. |
| |
| Keywords: | |
| 本文献已被 SpringerLink 等数据库收录！ |
|
