title: Bosentan monohydrate.
abstract: In the title compound, C27H29N5O6S·H2O {systematic name: 4-tert-butyl-N-[6-(2-hy-droxy-eth-oxy)-5-(2-meth-oxy-phen-oxy)-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 mol-ecule, and weak O-H⋯N inter-molecular inter-actions between the hy-droxy group and one of the pyrimidine rings producing an two-dimensional supra-molecular array in the bc plane. The title compound studied was a merohedral twin with the major component being approximately 57%.
authors.affiliation: Department of Studies in Chemistry, University of Mysore, Manasagangotri, Mysore 570 006, India.
authors.forename: Manpreet
authors.initials: M
authors.lastname: Kaur
authors.forename: Jerry P
authors.initials: JP
authors.lastname: Jasinski
authors.forename: Amanda C
authors.initials: AC
authors.lastname: Keeley
authors.forename: H S
authors.initials: HS
authors.lastname: Yathirajan
authors.forename: Richard
authors.initials: R
authors.lastname: Betz
authors.forename: Thomas
authors.initials: T
authors.lastname: Gerber
authors.forename: Ray J
authors.initials: RJ
authors.lastname: Butcher