In the title compound [systematic name: 2,4-diamino-5-(3,4,5trimethoxybenzyl)pyrimidinium tetrafluoroborate], C 14 H 19 -N 4 O 3 + ÁBF 4 À , 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 tet
Hydrogen-bonding patterns in pyrimethaminium 3-chlorobenzoate
✍ Scribed by Devi, Periasamy ;Muthiah, Pakianathan Thomas ;Rychlewska, Urszula ;Plutecka, Agnieszka
- Publisher
- International Union of Crystallography
- Year
- 2006
- Tongue
- English
- Weight
- 207 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
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Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.003 A Ê R factor = 0.059 wR factor = 0.188 Data-to-parameter ratio = 15.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In the title compound, C~10~H~12~O~3~N~3~S^+^·Cl^−^, 4-amino-__N__-(5-methyl-3-isoxazolyl)benzenesulfonamide is protonated on the amine N atom which is connected to the benzene ring. The geometry around the S atom is considerably distorted from ideal tetrahedral geometry. The crystal packing is stab