Raltegravir monohydrate.
THE HYDRATED TITLE COMPOUND [SYSTEMATIC NAME: N-(4-fluoro-benz-yl)-5-hy-droxy-1-methyl-2-{1-methyl-1-[(5-methyl-1,3,4-oxa-diazol-2-ylcarbon-yl)amino]-eth-yl}-6-oxo-1,6-di-hydro-pyrimidine-4-carb-oxamide monohydrate], C20H21FN6O5·H2O, is recognised as the first HIV integrase inhibitor. In the mol-ecule, the dihedral angles between the mean planes of the pyrimidine ring and the phenyl and oxa-diazole rings are 72.0 (1) and 61.8 (3)°, respectively. The mean plane of the oxa-diazole ring is twisted by 15.6 (3)° from that of the benzene ring, while the mean plane of amide group bound to the oxadiaole ring is twisted by 18.8 (3)° from its mean plane. Intra-molecular O-H⋯O and C-H⋯N hydrogen bonds are observed in the mol-ecule. The crystal packing features O-H⋯O hydrogen bonds, which include bifurcated O-H⋯(O,O) hydrogen bonds from one H atom of the water mol-ecule. In addition, N-H⋯O hydrogen bonds are observed involving the two amide groups. These inter-actions link the mol-ecules into chains along [010].
Department of Studies in Chemistry, University of Mysore, Manasagangotri, Mysore 570 006, India.
Thammarse S
TS
Yamuna
Department of Chemistry, Keene State College, 229 Main Street, Keene, NH 03435-2001, USA.
Jerry P
JP
Jasinski
Department of Chemistry, Keene State College, 229 Main Street, Keene, NH 03435-2001, USA.
Brian J
BJ
Anderson
Department of Studies in Chemistry, University of Mysore, Manasagangotri, Mysore 570 006, India.
H S
HS
Yathirajan
Department of Studies in Chemistry, University of Mysore, Manasagangotri, Mysore 570 006, India.
Manpreet
M
Kaur