Materials Data on C(N2O)2 by Materials Project

Abstract

CN2N2O2 crystallizes in the orthorhombic Fdd2 space group. The structure is one-dimensional and consists of sixteen methanediamine molecules; sixteen N2 ribbons oriented in the (1, 0, 0) direction; and twenty-four O2 ribbons oriented in the (1, 0, 0) direction. In each N2 ribbon, there are two inequivalent N sites. In the first N site, N is bonded in a T-shaped geometry to three N atoms. There is one shorter (1.29 Å) and two longer (1.65 Å) N–N bond length. In the second N site, N is bonded in a distorted T-shaped geometry to three N atoms. Both N–N bond lengths are 1.65 Å. In eight of the O2 ribbons, O2- is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. There is two shorter (1.65 Å) and one longer (2.25 Å) O–O bond length. In sixteen of the O2 ribbons, O2- is bonded in a distorted linear geometry to two equivalent O2- atoms. Both O–O bond lengths are 1.65 Å.