2-(4-Aminobenzenesulfonamido)-4,6-dimetylpyrimidin-1-ium 2-carboxy-4,6-dinitrophenolate


Autoria(s): Smith, Graham; Wermuth, Urs D.
Data(s)

01/04/2013

Resumo

In the structure of the of the phenolate salt of the sulfa drug sulfamethazine with 3,5-dinitrosalicylic acid, C12H15N4O2S+ C7H3N2O7-, the dihedral angle between the pyrimidine and phenyl rings of the cation is 59.70(17)\%. Cation--anion hydrogen-bonding interactions involving pyrimidine N+-H...O(carboxyl) and amine N-H...O(carboxyl) pairs give a cyclic R2/2(8) motif while secondary N-H...O hydrogen bonds between the aniline group and both sulfone and nitro O-atom acceptors give a two-dimensional structure extending along (001).

Identificador

http://eprints.qut.edu.au/58823/

Publicador

Blackwell Publishing on behalf of IUCr

Relação

DOI:10.1107/S1600536813005631

Smith, Graham & Wermuth, Urs D. (2013) 2-(4-Aminobenzenesulfonamido)-4,6-dimetylpyrimidin-1-ium 2-carboxy-4,6-dinitrophenolate. Acta Crystallographica. Section E: Structure Reports Online, 69(4), o472-o472.

Fonte

School of Chemistry, Physics & Mechanical Engineering; Science & Engineering Faculty

Palavras-Chave #sulfamethazine #3,5-dinitrosalicylic acid #proton transfer #crystal structure #hydrogen bonding
Tipo

Journal Article