%0 Journal Article
%T Bosentan monohydrate
%A Manpreet Kaur
%A Jerry P. Jasinski
%A Amanda C. Keeley
%A H. S. Yathirajan
%J Acta Crystallographica Section E
%D 2013
%I International Union of Crystallography
%R 10.1107/s1600536812048969
%X In the title compound, C27H29N5O6S，H2O {systematic name: 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(pyrimidin-2-yl)pyrimidin-4-yl]benzene-1-sulfonamide monohydrate], the dihedral angle between the mean planes of the pyrimidine rings is 27.0 (1)＜. The dihedral angle between the mean planes of the benzene rings is 47.7 (8)＜, forming a U-shaped channel around the chain of twisted pyrimidine rings. The crystal packing is stabilized by O！H...O, O！H...N and N！H...O hydrogen bonds with a single water molecule, and weak O！H...N intermolecular interactions between the hydroxy group and one of the pyrimidine rings producing an two-dimensional supramolecular array in the bc plane. The title compound studied was a merohedral twin with the major component being approximately 57%.
%U http://scripts.iucr.org/cgi-bin/paper?S1600536812048969