Raltegravir monohydrate.

Thammarse S Yamuna, Jerry P Jasinski, Brian J Anderson, H S Yathirajan, Manpreet Kaur

Abstract read

In one paragraph

Article in Acta crystallographica. Section E, Structure reports online, 2013. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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0citing papers in PubMed

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1 · What the graph read from it

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2 · The registry

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0 citing papers in PubMed.

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4 · The record

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5 · Who and what money

Authors and funding

5 authors.

Thammarse S YamunaDepartment of Studies in Chemistry, University of Mysore, Manasagangotri, Mysore 570 006, India.

Jerry P JasinskiDepartment of Chemistry, Keene State College, 229 Main Street, Keene, NH 03435-2001, USA.

Brian J AndersonDepartment of Chemistry, Keene State College, 229 Main Street, Keene, NH 03435-2001, USA.

H S YathirajanDepartment of Studies in Chemistry, University of Mysore, Manasagangotri, Mysore 570 006, India.

Manpreet KaurDepartment of Studies in Chemistry, University of Mysore, Manasagangotri, Mysore 570 006, India.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

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].

Identifiers

PMID24454199

DOI10.1107/S1600536813029747

PMCPMC3885024

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.