Formation of 1,4,2-Dithiazolidines or 1,3-Thiazetidines from 1,1-Dichloro-2-nitroethene and Phenylthiourea Derivatives.
Feng, Yian; Zou, Minming; Song, Runjiang; Shao, Xusheng; Li, Zhong; Qian, Xuhong; The Journal of organic chemistry 81 (2016) 10321–10327; doi:10.1021/acs.joc.6b01307

data_4037027
_publ_section_title
;
 Formation of 1,4,2-Dithiazolidines or 1,3-Thiazetidines from
 1,1-Dichloro-2-nitroethene and Phenylthiourea Derivatives.
;
_journal_issue                   21
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              10321
_journal_page_last               10327
_journal_paper_doi               10.1021/acs.joc.6b01307
_journal_volume                  81
_journal_year                    2016
_chemical_formula_sum            'C15 H9 Br2 N3 O2 S'
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_space_group_name_Hall           '-P 2ybc'
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_cell_measurement_temperature    293(2)
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_cell_measurement_theta_min      5.442
_cell_volume                     1606.7(11)
_computing_cell_refinement       'Bruker SMART'
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_computing_molecular_graphics    'Bruker SHELXTL'
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_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_max         25.995
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_exptl_absorpt_coefficient_mu    5.187
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_description       prismatic
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
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_refine_ls_R_factor_all          0.0542
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0436P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           cd214494
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4037027
_shelxl_version_number           2013-4
_shelx_res_checksum              4568
_shelx_hkl_checksum              50817