Abstract

In the title salt, 2C4H6ClN4 +·C4H2O4 2−, the complete fumarate dianion is generated by crystallographic inversion symmetry. The cation is essentially planar, with a maximum deviation of 0.018 (1) Å. In the anion, the carboxyl­ate group is twisted slightly away from the attached plane, the dihedral angle between the carboxyl­ate and (E)-but-2-ene planes being 12.78 (13)°. In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl­ate O atoms of the anion via a pair of N—H⋯O hydrogen bonds, forming an R 2 2(8) ring motif. In addition, another type of R 2 2(8) motif is formed by centrosymmetrically related pyrimidinium cations via N—H⋯N hydrogen bonds. These two combined motifs form a heterotetra­mer. The crystal structure is further stabilized by stong N—H⋯O, N—H⋯Cl and weak C—H⋯O hydrogen bonds, resulting a three-dimensional network.

Highlights

  • 2C4H6ClN4+C4H2O42, the complete fumarate dianion is generated by crystallographic inversion symmetry

  • The protonated N atom and the 2amino group of the cation are hydrogen bonded to the carboxylate O atoms of the anion via a pair of N—H O

  • Hydrogen bonds, forming an R22(8) ring motif. Another type of R22(8) motif is formed by centrosymmetrically related pyrimidinium cations via N—H N hydrogen bonds

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Summary

Mo K radiation

The protonated N atom and the 2amino group of the cation are hydrogen bonded to the carboxylate O atoms of the anion via a pair of N—H O hydrogen bonds, forming an R22(8) ring motif. Another type of R22(8) motif is formed by centrosymmetrically related pyrimidinium cations via N—H N hydrogen bonds. These two combined motifs form a heterotetramer. The crystal structure is further stabilized by stong N—H O, N—H Cl and weak C—H O hydrogen bonds, resulting a threedimensional network

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Bruker SMART APEXII DUO
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