The crystal structure of (C2H9N2)2[Zn3(HPO3)4], a three-dimensional zincophosphite framework containing 16-membered rings templated by the unsymmetrical dimethyl hydrazinium cation.

Judita Katinaitė,William T A Harrison

doi:10.1107/s2056989017005758

Judita Katinaitė, William T A Harrison

Open Access

https://doi.org/10.1107/s2056989017005758

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Abstract

The solution-mediated synthesis and crystal structure of 1,1-di-methyl-hydrazinium tetra-phoshonoatotrizincate, (C2H9N2)2[Zn3(HPO3)4], are described. The anionic [Zn3(HPO3)4]2- framework is built up from alternating ZnO4 tetra-hedra and HPO3 pseudo-pyramids to generate a three-dimensional 4,3-net encapsulating the C2H9N2+ cations. The organic cations, which are protonated at their central N atoms, occupy pores delineated by large 16-membered polyhedral rings and inter-act with the framework by way of N-H⋯O hydrogen bonds and possible C-H⋯O inter-actions. One of the zinc ions lies on a crystallographic twofold rotation axis and all the other atoms lie on general positions. The crystal studied was found to be rotationally twinned about the [001] axis in reciprocal space in a 0.585 (5):0.415 (5) ratio.

Highlights

One of the zinc ions lies on a crystallographic twofold rotation axis and all the other atoms lie on general positions
As part of our occasional studies in this area (Harrison & McNamee, 2010), we describe the synthesis and structure of the title compound, (I), which represents the first example of a protonated unsymmetrical dimethyl hydrazine
The crystal chosen for data collection was found to be rotationally twinned about the [001] axis in reciprocal space in a

Summary

Chemical context

Templated zinc phosphites are a well-established family of open frameworks (e.g.: Phillips et al, 2002; Luo et al, 2010; Wang et al, 2011; Dong et al, 2015; Huang et al, 2017). As part of our occasional studies in this area (Harrison & McNamee, 2010), we describe the synthesis and structure of the title compound, (I), which represents the first example of a protonated unsymmetrical dimethyl hydrazine Is the cation) acting as a templating agent for an inorganic open framework. As we are aware, the only crystal structures containing C2H9N2+ that have been reported previously are molecular salts with different simple counterions (Katinaitė & Harrison, 2016, and references therein)

Structural commentary

Database survey

Synthesis and crystallization

Refinement