2,3,5,6-Tetrafluoro-1,4-bis({[(5-methylthiophen-2-yl)methylidene]amino}methyl)benzene
Luo, Hai-Kun; Qin, Rui-Rui; He, Ming-Yang; Acta Crystallographica Section E 70 (2014) o698–; doi:10.1107/S1600536814011398

data_2239592
_publ_section_title
;
 2,3,5,6-Tetrafluoro-1,4-bis({[(5-methylthiophen-2-yl)methylidene]amino}methyl)benzene
;
_journal_coeditor_code           BH2498
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o698
_journal_paper_doi               10.1107/S1600536814011398
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac          'C20 H16 F4 N2 S2'
_chemical_formula_moiety         'C20 H16 F4 N2 S2'
_chemical_formula_sum            'C20 H16 F4 N2 S2'
_chemical_formula_weight         424.47
_chemical_melting_point          475
_chemical_name_systematic
2,3,5,6-Tetrafluoro-1,4-bis({[(5-methylthiophen-2-yl)methylidene]amino}methyl)benzene
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_space_group_name_Hall  'P 2yb'
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_cell_length_b                   8.8083(19)
_cell_length_c                   12.335(3)
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.92
_cell_measurement_theta_min      2.31
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_computing_cell_refinement       'APEX2 and SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
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_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 2005)
;
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
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_computing_structure_solution    'SHELXS2013 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
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_diffrn_measured_fraction_theta_max 0.988
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_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
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_diffrn_reflns_limit_l_min       -14
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_diffrn_reflns_theta_max         26.15
_diffrn_reflns_theta_min         1.77
_exptl_absorpt_coefficient_mu    0.323
_exptl_absorpt_correction_T_max  0.9202
_exptl_absorpt_correction_T_min  0.9140
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2007)'
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_exptl_crystal_description       needle
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_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
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_refine_ls_number_reflns         3286
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0545
_refine_ls_R_factor_gt           0.0478
_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^)+(0.0803P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1221
_refine_ls_wR_factor_ref         0.1290
_reflns_number_gt                2897
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_reflns_threshold_expression     I>2\s(I)
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