| Autor: |
Mitchell LA; Center for Biomolecular Science and Engineering, Naval Research Laboratory, Washington, DC 20375, USA., Imler GH; Center for Biomolecular Science and Engineering, Naval Research Laboratory, Washington, DC 20375, USA., Parrish DA; Center for Biomolecular Science and Engineering, Naval Research Laboratory, Washington, DC 20375, USA., Deschamps JR; Center for Biomolecular Science and Engineering, Naval Research Laboratory, Washington, DC 20375, USA., Leonard PW; Los Alamos National Laboratory, Los Alamos, NM 87545, USA., Chavez DE; Los Alamos National Laboratory, Los Alamos, NM 87545, USA. |
| Jazyk: |
angličtina |
| Zdroj: |
Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2017 Jun 20; Vol. 73 (Pt 7), pp. 1056-1061. Date of Electronic Publication: 2017 Jun 20 (Print Publication: 2017). |
| DOI: |
10.1107/S2056989017008817 |
| Abstrakt: |
In the mol-ecule of neutral bis-[(1 H -tetra-zol-5-yl)meth-yl]nitramide, (I), C 4 H 6 N 10 O 2 , there are two intra-molecular N-H⋯O hydrogen bonds. In the crystal, N-H⋯N hydrogen bonds link mol-ecules, forming a two-dimensional network parallel to (-201) and weak C-H⋯O, C-H⋯N hydrogen bonds, and inter-molecular π-π stacking completes the three-dimensional network. The anion in the molecular salt, tri-amino-guanidinium 5-({[(1 H -tetra-zol-5-yl)meth-yl](nitro)-amino}-meth-yl)tetra-zol-1-ide, (II), CH 9 N 6 + ·C 4 H 5 N 10 O 2 - , displays intra-molecular π-π stacking and in the crystal, N-H⋯N and N-H⋯O hydrogen bonds link the components of the structure, forming a three-dimensional network. In the crystal of di-ammonium bis-[(tetra-zol-1-id-5-yl)meth-yl]nitramide monohydrate, (III), 2NH 4 + ·C 4 H 4 N 10 O 2 2- ·H 2 O, O-H⋯N, N-H⋯N, and N-H⋯O hydrogen bonds link the components of the structure into a three-dimensional network. In addition, there is inter-molecular π-π stacking. In all three structures, the central N atom of the nitramide is mainly sp 2 -hybridized. Bond lengths indicate delocalization of charges on the tetra-zole rings for all three compounds. Compound (II) was found to be a non-merohedral twin and was solved and refined in the major component. |
| Databáze: |
MEDLINE |
| Externí odkaz: |
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