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Abbas FarhadiKoutenaei

Academic rank: Assistant Professor
ORCID:
Education: PhD.
ScopusId:
HIndex: 0/00
Faculty: Science
Address:
Phone: 011-35302494

Research

Title
Bis(2,6-diamino-4-chloro­pyrimidin-1-ium) fumarate
Type
JournalPaper
Keywords
single-crystal X-ray study, T=100 K, mean σ(C-C)=0.002 Å, R factor = 0.042, wR factor = 0.127, data-to-parameter ratio 21.6.
Year
2012
Journal Acta Crystallographica Section E: Structure Reports Online
DOI
Researchers Kaliyaperumal Thanigaimani ، Abbas FarhadiKoutenaei ، Nuridayanti Che Khalib ، ُSuhana Arshed ، َAbdul Razak Ibrahim

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.