Materials Data on H9C4NO4 by Materials Project

Abstract

(CH3)2NH2HC2O4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four dimethylazanium molecules and four HC2O4 clusters. In each HC2O4 cluster, there are two inequivalent C+0.50+ sites. In the first C+0.50+ site, C+0.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.28 Å) C–O bond length. In the second C+0.50+ site, C+0.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.31 Å) C–O bond length. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.09 Å) and one longer (1.41 Å) H–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+0.50+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one C+0.50+ and one H1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one C+0.50+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one C+0.50+ and one H1+ atom.