Planarity of benzoylthiocarbazate tuberculostatics. IV. Polymorphs of N'-(1,3-dithiolan-2-ylidene)-4-nitrobenzohydrazide.
Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Główka, Marek L; Acta crystallographica. Section C, Structural chemistry 73 (2017) 797–802; doi:10.1107/S2053229617012566

data_2311906
_publ_section_title
;
 Planarity of benzoylthiocarbazate tuberculostatics. IV. Polymorphs of
 N'-(1,3-dithiolan-2-ylidene)-4-nitrobenzohydrazide.
;
_journal_coeditor_code           FN3245
_journal_issue                   'Pt 10'
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'Acta crystallographica. Section C, Structural chemistry'
_journal_page_first              797
_journal_page_last               802
_journal_paper_doi               10.1107/S2053229617012566
_journal_volume                  73
_journal_year                    2017
_chemical_formula_moiety         'C10 H9 N3 O3 S2'
_chemical_formula_sum            'C10 H9 N3 O3 S2'
_chemical_formula_weight         283.32
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
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_cell_angle_beta                 98.211(2)
_cell_angle_gamma                90
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_cell_length_c                   24.4164(17)
_cell_measurement_reflns_used    9309
_cell_measurement_temperature    100(2)
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_cell_measurement_theta_min      5.6885
_cell_volume                     1163.70(14)
_computing_cell_refinement
;
SAINT-Plus (Bruker, 2003)
;
_computing_data_collection
;
APEX2 (Bruker, 2002)
;
_computing_data_reduction
;
SAINT-Plus (Bruker, 2003)
;
_computing_molecular_graphics
;
PLATON (Spek, 2009) and Mercury (Macrae <i>et al.</i>,  2006)
;
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;
PLATON (Spek, 2009)
;
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SHELXL97 (Sheldrick, 2008)
;
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SHELXS97 (Sheldrick, 2008)
;
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_diffrn_measurement_method       '\w scan'
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_diffrn_reflns_av_R_equivalents  0.042
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_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       7
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_diffrn_reflns_theta_max         72.375
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_exptl_absorpt_correction_T_max  0.662
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_exptl_absorpt_process_details
;
(SADABS; Sheldrick, 2003)
;
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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^)+(0.0629P)^2^+0.6885P] where P=(Fo^2^+2Fc^2^)/3'
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