%0 Journal Article
%T Crystal structure of 2-[(2-acetoxyethoxy) methyl]-3-amino-1,2,4-triazin-5(2H)-one
%A Gene-Hsiang Lee
%A Long-Chih Hwang
%J -
%D 2017
%R 10.14419/ijac.v5i1.7440
%X The X-ray structural investigations has been carried out for the title compound, 2-[(2-acetoxyethoxy)methyl]-3-amino-1,2,4-triazin-5(2H)-one (1-[(2-acetoxyethoxy)methyl]-6-azaisocytosine), molecular formula C8H12N4O4, crystallizes in a monoclinic space group P-1 with a = 5.3124(3) £¿, b = 7.3635(3) £¿, c = 14.0170(8) £¿, ¦Á = 81.5265(19)¡ã, ¦Â = 85.852(2)¡ã, ¦Ã = 76.760(2)¡ã, V = 527.49(5) £¿3 and Z = 2, resulting in a density, Dcalc, of 1.437 g/cm3. The hydrogen-bonding systems assemble with N-H¡¤¡¤¡¤O [graph set C (6)], N-H¡¤¡¤¡¤N [graph set R (8)], and N-H¡¤¡¤¡¤N combine with N-H¡¤¡¤¡¤O [graph set R (12)]. The side chain of the molecular structure is further stabilized by short contacts formed by intermolecular C-H¡¤¡¤¡¤O interactions.
%U https://www.sciencepubco.com/index.php/IJAC/article/view/7440