Open AccessHydrogen‐bonding patterns in trimethoprim tetrafluoroborate
Author(s) -
Hemamalini Madhukar,
Muthiah Packianathan Thomas,
Lynch Daniel E.
Publication year - 2005
Publication title -
acta crystallographica section e
Language(s) - English
Resource type - Journals
ISSN - 1600-5368
DOI - 10.1107/s1600536805036615
Subject(s) - tetrafluoroborate , hydrogen bond , trimethoprim , chemistry , organic chemistry , catalysis , molecule , ionic liquid , biochemistry , antibiotics
In the title compound [systematic name: 2,4‐diamino‐5‐(3,4,5‐trimethoxybenzyl)pyrimidinium tetrafluoroborate], C 14 H 19 N 4 O 3 + ·BF 4 − , the trimethoprim (TMP) molecule is protonated at one of the pyrimidine N atoms. The protonated N atom and 2‐amine group of the TMP cation interact with the tetrafluoroborate anion through a pair of N—H⋯F hydrogen bonds [graph set R 2 2 (8)]. The inversion‐related TMP cations are linked through a pair of N—H⋯N hydrogen bonds. The 2‐amine group of one TMP cation and the 4‐amine group of another cation are bridged by a methoxy O atom, via N—H⋯O hydrogen bonds.