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- W4214542495 abstract "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]." @default.
- W4214542495 created "2022-03-02" @default.
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- W4214542495 date "2013-11-06" @default.
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- W4214542495 title "Raltegravir monohydrate" @default.
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- W4214542495 doi "https://doi.org/10.1107/s1600536813029747" @default.
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