ISSN:
1600-5368
Source:
Crystallography Journals Online : IUCR Backfile Archive 1948-2001
Topics:
Chemistry and Pharmacology
,
Geosciences
,
Physics
Notes:
Trimethoprim sulfate trihydrate, 2C14H19N4O3+·SO42−·3H2O [(TMPH+)2(SO4)2−·3H2O, TMPH+ = 2,4-diamino-5-(3,4,5-methoxybenzyl)pyrimidin-1-ium], is an antibacterial agent. In its N1-protonated form, it inhibits the bacterial dihydrofolate reductase enzyme. The asymmetric unit contains two TMPH cations, a sulfate anion and three water molecules. The TMPH cations are each paired about their respective inversion centres via N—H...N hydrogen bonds. These pairs are further bridged by a network of hydrogen bonds involving the sulfate anion and water molecules. Both the TMPH cations make hydrogen bonds with water molecules through the 2-amino groups, reminiscent of TMP-dihydrofolate reductase complexes. The pyrimidine plane makes a dihedral angle of 75.89 (8)° with the phenyl ring in one TMPH cation, the corresponding angle in the other moiety being 69.96 (8)°.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1107/S1600536801018657
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