1. Supramolecular interactions in 2,6-diamino-4- chloropyrimidin-1-ium 5-chlorosalicylate and bis(2,6-diamino-4-chloropyrimidin-1-ium) naphthalene-1,5-disulfonate.
- Author
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Darious, Robert Swinton, Muthiah, Packianathan Thomas, and Perdih, Franc
- Subjects
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MOLECULAR interactions , *SALICYLATES , *SUPRAMOLECULES - Abstract
The crystals of two new salts, 2,6-diamino-4-chloropyrimidin-1-ium 5-chlorosalicylate, C4H6ClN4 +.C7H4ClO3 -, (I), and bis(2,6-diamino-4-chloropyrimidin-1- ium) naphthalene-1,5-di-sulfonate, 2C4H6ClN4 +.C10H6O6S2 2-, (II), have been synthesized and characterized by single-crystal X-ray diffraction. In both compounds, the N atom of the pyrimidine group in between the amino substituents is protonated and the pyrimidinium cation forms a pair of N-- H. . .O hydrogen bonds with the carboxylate/sulfonate ion, leading to a robust R2 2(8) motif (supramolecular heterosynthon). In compound (I), a selfcomplementary base pairing involving the other pyrimidinium ring nitrogen atom and one of the amino groups via a pair of N--H. . .N hydrogen bonds [R2 ²(8) homosynthon] is also present. In compound (II), the crystallographic inversion centre coincides with the inversion centre of the naphthalene-1,5- disulfonate ion and all the sulfonate O atoms are hydrogen-bond acceptors, generating fused-ring motifs and a quadruple DDAA array. A halogen-bond (Cl. . .Cl) interaction is present in (I) with a distance and angle of 3.3505 (12) Å and 151.37 (10)°, respectively. In addition, a C--Cl. . .π interaction and a π-π interaction in (I) and a π-π interaction in (II) further stabilize these crystal structures. [ABSTRACT FROM AUTHOR]
- Published
- 2018
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