Crystal structure and antidiabetic activity of 2-aminospiropyrazolinium tosylates and the product of <i>O</i>-tosylation of β-(benzimidazol-1-yl)propioamidoxime
Kayukova, Lyudmila A.; Vologzhanina, Anna V.; Yergaliyeva, Elmira M.; Baitursynova, Gulnur P.; Shulgau, Zarina T.; Sergazy, Shynggys; Acta Crystallographica Section C 78 (2022) –; doi:10.1107/S2053229622008464

data_2022664
_publ_section_title
;
 Crystal structure and antidiabetic activity of 2-aminospiropyrazolinium
 tosylates and the product of <i>O</i>-tosylation of
 \b-(benzimidazol-1-yl)propioamidoxime
;
_journal_coeditor_code           ZO3026
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2053229622008464
_journal_volume                  78
_journal_year                    2022
_chemical_formula_iupac          'C7 H14 N3 S +, C7 H7 O3 S -'
_chemical_formula_moiety         'C7 H14 N3 S +, C7 H7 O3 S -'
_chemical_formula_sum            'C14 H21 N3 O3 S2'
_chemical_formula_weight         343.46
_chemical_name_common
;
2-Amino-8-thia-1,5-diazaspiro[4.5]dec-1-en-5-ium tosylate
;
_chemical_name_systematic
;
2-Amino-8-thia-1,5-diazaspiro[4.5]dec-1-en-5-ium 4-methylbenzenesulfonate
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
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;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
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;
SAINT (Bruker, 2013)
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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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SHELXL2018 (Sheldrick, 2015<i>b</i>)
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SHELXT2014 (Sheldrick, 2015<i>a</i>)
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;
(SADABS; Bruker, 2016)
;
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_refine_ls_R_factor_all          0.1077
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0100P)^2^+2.0384P] where P=(Fo^2^+2Fc^2^)/3'
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_refine_ls_wR_factor_ref         0.2184
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