The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies
Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.; CrystEngComm 24 (2022) 609–619; doi:10.1039/D1CE01516H

data_7244060
_publ_section_title
;
 The extensive solid-form landscape of sulfathiazole: geometrical
 similarity and interaction energies
;
_journal_issue                   3
_journal_name_full               CrystEngComm
_journal_page_first              609
_journal_page_last               619
_journal_paper_doi               10.1039/D1CE01516H
_journal_volume                  24
_journal_year                    2022
_chemical_formula_moiety         '2(C9 H9 N3 O2 S2), C6 H10 O4'
_chemical_formula_sum            'C24 H28 N6 O8 S4'
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_chemical_name_common            'Sulfathiazole, diethyloxalate solvate'
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'Sulfathiazole, oxalic acid diethyl ester (2:1) solvate'
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;
2021-11-08 deposited with the CCDC.	2021-12-10 downloaded from the CCDC.
;
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'FIND (MADNES reference manual ver. 2.4, 1993)'
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_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
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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^)+(0.0357P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_gt                772
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           6
_cod_depositor_comments
'Adding full bibliography for 7244056--7244077.cif.'
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