Salt forms of sulfadiazine with alkali metal and organic cations
Campbell, Gemma; Fisher, Rebecca; Kennedy, Alan R.; King, Nathan L. C.; Spiteri, Rebecca; Acta Crystallographica Section C 74 (2018) –; doi:10.1107/S205322961800414X

data_2021057
_publ_section_title
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 Salt forms of sulfadiazine with alkali metal and organic cations
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_journal_name_full               'Acta Crystallographica Section C'
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;
;
_journal_paper_doi               10.1107/S205322961800414X
_journal_volume                  74
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_chemical_formula_iupac          '[Li (C10 H9 N4 O2 S) (H2 O)2]'
_chemical_formula_moiety         'C10 H13 Li N4 O4 S'
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Diaqua{4-[(pyrimidin-2-ylazanidyl-\k<i>N</i>^1^)sulfonyl-\k<i>O</i>]aniline}lithium(I)
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;
CrysAlis PRO (Agilent, 2014)
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CrysAlis PRO (Agilent, 2014)
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CrysAlis PRO (Agilent, 2014)
;
_computing_molecular_graphics
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Mercury (Macrae <i>et al.</i>,  2008)
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SHELXL2014 (Sheldrick, 2015b)
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SHELXL2014 (Sheldrick, 2015b)
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SIR92 (Altomare <i>et al.</i>,  1994)
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_diffrn_standards_interval_time  0
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(CrysAlis PRO; Oxford Diffraction, 2010)
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;
 Refined as an inversion twin.
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method
;
SHELXL2014 (Sheldrick, 2015b)
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_refine_ls_goodness_of_fit_ref   1.036
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0365P)^2^+0.3087P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.0655
_reflns_number_gt                2184
_reflns_number_total             2246
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