Hydrogen‐bonding patterns in trimethoprim tetrafluoroborate | Zendy

Hemamalini Madhukar | Zendy; Muthiah Packianathan Thomas | Zendy; Lynch Daniel E. | Zendy

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Hydrogen‐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.

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