One-pot synthesis of 4,8-dibromobenzo[1,2-c;4,5-c']bis[1,2,5]thiadiazole.
Tam, Teck Lip; Li, Hairong; Wei, Fengxia; Tan, Ke Jie; Kloc, Christian; Lam, Yeng Ming; Mhaisalkar, Subodh G.; Grimsdale, Andrew C.; Organic letters 12 (2010) 3340–3343; doi:10.1021/ol100989v

data_1503026
_publ_section_title
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 One-pot synthesis of 4,8-dibromobenzo[1,2-c;4,5-c']bis[1,2,5]thiadiazole.
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_journal_issue                   15
_journal_name_full               'Organic letters'
_journal_page_first              3340
_journal_page_last               3343
_journal_paper_doi               10.1021/ol100989v
_journal_volume                  12
_journal_year                    2010
_chemical_formula_sum            'C6 Cl2 N4 S2'
_chemical_formula_weight         263.1
_chemical_name_systematic
; 
4,8-dichlorobenzo[1,2-c;4,5-c']bis[1,2,5]thiadiazole
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.34(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.842(8)
_cell_length_b                   7.434(2)
_cell_length_c                   15.223(6)
_cell_measurement_temperature    293
_cell_volume                     434.8(9)
_diffrn_ambient_temperature      293
_diffrn_detector_area_resol_mean 0.77
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device       'Bruker Smart ApexII'
_diffrn_measurement_device_type  'Single crystal X-Ray diffractometer'
_diffrn_measurement_method       'X-Ray diffraction'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0218
_diffrn_reflns_av_sigmaI/netI    0.0181
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_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            2883
_diffrn_reflns_theta_full        24.99
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         2.68
_diffrn_source                   'X-Ray tube'
_diffrn_standards_interval_time  60
_exptl_absorpt_coefficient_mu    1.181
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_exptl_absorpt_correction_T_min  0.753
_exptl_absorpt_correction_type   multi-scan
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"'R.H. Blessing, Acta Crystallogr., Sect A 1995, 51, 33-38. '"
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.0087
_exptl_crystal_F_000             260
_exptl_crystal_recrystallization_method 'Physical vapor transport'
_exptl_crystal_size_max          1
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.005
_refine_diff_density_max         0.22
_refine_diff_density_min         -0.23
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    1.86
_refine_ls_goodness_of_fit_ref   1.58
_refine_ls_number_constraints    0
_refine_ls_number_parameters     64
_refine_ls_number_reflns         771
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0292
_refine_ls_R_factor_gt           0.0246
_refine_ls_shift/su_max          0.0135
_refine_ls_shift/su_mean         0.0039
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
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_refine_ls_wR_factor_ref         0.0674
_reflns_number_gt                673
_reflns_number_total             771
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            ol100989v_si_002.cif
_cod_data_source_block           (I)
_cod_original_sg_symbol_Hall     '-P 2yabc'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1503026