2-Aminopyrimidinium picrate

  • The geometric parameters of the title compound, C4H6N3+·C6H2N3O7-, are in the usual ranges. While two nitro groups are almost coplanar with the aromatic picrate ring [dihedral angles 3.0 (2) and 4.4 (3)°], the third is significantly twisted out of this plane [dihedral angle 46.47 (8)°]. Anions and cations are connected via N-H...O hydrogen bonds. The molecules crystallize in planes parallel to (1\overline{2}1). Key indicators: single-crystal X-ray study; T = 173 K; mean σ(C–C) = 0.002 Å; R factor = 0.036; wR factor = 0.099; data-to-parameter ratio = 10.9.

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Author:Badiadka Narayana, Balladka Kunhanna Sarojini, K. Prakash Kamath, Hemmige S. Yathirajan, Michael BolteORCiD
Pubmed Id:https://pubmed.ncbi.nlm.nih.gov/21200681
Parent Title (English):Acta crystallographica / Section E, Structure reports online
Document Type:Article
Year of Completion:2008
Year of first Publication:2008
Publishing Institution:Universitätsbibliothek Johann Christian Senckenberg
Release Date:2009/09/08
This is an open-access article distributed under the terms of the Creative Commons Attribution Licence http://creativecommons.org/licenses/by/2.0/uk/legalcode, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
Source:Acta Crystallographica Section E, Structure Reports Online, 2008, E64, o117–o118 ; doi:10.1107/S1600536807062599
Institutes:Biochemie, Chemie und Pharmazie / Biochemie und Chemie
Dewey Decimal Classification:5 Naturwissenschaften und Mathematik / 54 Chemie / 540 Chemie und zugeordnete Wissenschaften
Licence (German):License LogoCreative Commons - Namensnennung 2.0