Synthesis, XRD structural analysis and theoretical studies of a potential inhibitor against rheumatoid arthritis (RA).
Monge-Hoyos, Kevin; Moreno-Fuquen, Rodolfo; Arango-Daraviña, Kevin; Ellena, Javier; Santiago, Pedro H. O.; Acta crystallographica. Section C, Structural chemistry 80 (2024) 707–715; doi:10.1107/S2053229624010106

data_2312729
_publ_section_title
;
 Synthesis, XRD structural analysis and theoretical studies of a potential
 inhibitor against rheumatoid arthritis (RA).
;
_journal_coeditor_code           ZO3059
_journal_issue                   'Pt 11'
_journal_name_full
'Acta crystallographica. Section C, Structural chemistry'
_journal_page_first              707
_journal_page_last               715
_journal_paper_doi               10.1107/S2053229624010106
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_journal_year                    2024
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_chemical_name_systematic
;
<i>N</i>-(5-Nitrothiazol-2-yl)furan-2-carboxamide
;
_space_group_crystal_system      monoclinic
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Olex2 1.5
(compiled 2021.08.20 svn.r13c46975 for OlexSys, GUI svn.r6396)
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;
HKL SCALEPACK (Otwinowski & Minor, 1997)
;
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COLLECT (Nonius, 2000)
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HKL DENZO and SCALEPACK (Otwinowski & Minor, 1997)
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OLEX2 (Bourhis <i>et al.</i>, 2015; Dolomanov <i>et al.</i>,
2009)
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OLEX2 (Bourhis <i>et al.</i>, 2015; Dolomanov <i>et al.</i>,
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SHELXL2016 (Sheldrick, 2015)
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SHELXS97 (Sheldrick, 2008)
;
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_diffrn_source                   'fine-focus sealed tube'
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;
(SADABS; Sheldrick, 2010)
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'w=1/[\s^2^(Fo^2^)+(0.0764P)^2^+0.2947P] where P=(Fo^2^+2Fc^2^)/3'
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