Structural characterization of the aquaporin inhibitor 2-nicotinamido-1,3,4-thiadiazole
Burnett, Marianne E.; Johnston, Hannah M.; Green, Kayla N.; Acta Crystallographica Section C 71 (2015) –; doi:10.1107/S2053229615021130

data_2020299
_publ_section_title
;
 Structural characterization of the aquaporin inhibitor
 2-nicotinamido-1,3,4-thiadiazole
;
_journal_coeditor_code           YP3101
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2053229615021130
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          'C8 H6 N4 O S'
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_chemical_name_common            TGN-020
_chemical_name_systematic
;
2-Nicotinamido-1,3,4,-thiadiazole
;
_space_group_crystal_system      orthorhombic
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_space_group_name_H-M_alt        'P 21 21 21'
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Olex2 1.2-dev
(compiled 2015.09.07 svn.r3215 for OlexSys, GUI svn.r3563)
;
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_computing_cell_refinement
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SAINT (Bruker, 2013)
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_computing_data_collection
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APEX2 (Bruker, 2013)
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SAINT (Bruker, 2013)
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OLEX2 (Dolomanov <i>et al.</i>,  2009)
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OLEX2 (Dolomanov <i>et al.</i>,  2009)
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SHELXL2014 (Sheldrick, 2015)
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olex2.solve (Bourhis <i>et al.</i>,  2015)
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;
(SADABS; Bruker, 2014)
;
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;
Refined as an inversion twin.
;
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0323P)^2^+0.3974P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_database_code               2020299
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