Crystal structures of two unexpected products of vicinal diamines left to crystallize in acetone.
Dival, Bruno; Pitinato, Leonardo; Develly, Letícia; Oliveira, Willian X. C.; Acta crystallographica. Section C, Structural chemistry 80 (2024) –; doi:10.1107/S2053229624007320

data_2312587
_publ_section_title
;
 Crystal structures of two unexpected products of vicinal diamines left to
 crystallize in acetone.
;
_journal_coeditor_code           EF3057
_journal_issue                   9
_journal_name_full
'Acta crystallographica. Section C, Structural chemistry'
_journal_paper_doi               10.1107/S2053229624007320
_journal_volume                  80
_journal_year                    2024
_chemical_formula_iupac          'C26 H30 N4 O4 S2'
_chemical_formula_moiety         'C26 H30 N4 O4 S2'
_chemical_formula_sum            'C26 H30 N4 O4 S2'
_chemical_formula_weight         526.66
_chemical_name_systematic
2,2,4-Trimethyl-8,9-bis(4-methylbenzenesulfonamido)-2,3-dihydro-5<i>H</i>-1,5-benzodiazepine
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
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;
CrysAlis PRO (Rigaku OD, 2022)
;
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;
CrysAlis PRO (Rigaku OD, 2022)
;
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;
CrysAlis PRO (Rigaku OD, 2022)
;
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<i>Mercury</i> (Macrae <i>et al.</i>, 2020)
;
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;
SHELXL2019 (Sheldrick, 2015)
;
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SHELXL2019 (Sheldrick, 2015)
;
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;
SUPERFLIP (Palatinus et al., 2007)
;
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'Rigaku XtaLAB Synergy Dualflex diffractometer with a HyPix detector'
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_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
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_diffrn_reflns_theta_min         3.750
_diffrn_source                   'micro-focus sealed X-ray tube'
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;
(CrysAlis PRO; Rigaku OD, 2022)
;
_exptl_crystal_colour            Yellow
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0632P)^2^+2.9523P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
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