A New Precursor of 1,3,4-Thiadiazolesulfonamides: 5-<i>tert</i>-Butyloxycarbonylamino-1,3,4-thiadiazole-2-sulfonyl Chloride
Pedregosa, J. C.; Borrás, J.; Fustero, S.; García-Granda, S.; Díaz, M. R.; Acta Crystallographica Section C 52 (1996) 1849–1851; doi:10.1107/S0108270196000017

data_2005163
_publ_section_title
;
 A New Precursor of 1,3,4-Thiadiazolesulfonamides:
 5-<i>tert</i>-Butyloxycarbonylamino-1,3,4-thiadiazole-2-sulfonyl
 Chloride
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1849
_journal_page_last               1851
_journal_paper_doi               10.1107/S0108270196000017
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C7 H10 Cl N3 O4 S2'
_chemical_formula_weight         299.75
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 100.68(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.743(6)
_cell_length_b                   19.027(4)
_cell_length_c                   6.973(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
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_cell_measurement_theta_min      15
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_computing_cell_refinement
;
DIRDIF (Beurskens et al, 1992)
;
_computing_data_collection       '  CAD-4 software (Enraf-Nonius, 1977)'
_computing_data_reduction
;
DATAR (local program)
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_computing_molecular_graphics
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EUCLID  (Spek, 1982)
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_computing_structure_refinement
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SHELX76 (Sheldrick, 1976)
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_computing_structure_solution
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SHELXS86 (Sheldrick, 1985)
;
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
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_diffrn_reflns_av_R_equivalents  0.027
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_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            4290
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        3.00
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_diffrn_standards_number         3
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_exptl_absorpt_correction_T_min  0.65
_exptl_absorpt_correction_type   'empirical DIFABS (Walker & Stuart, 1983)'
_exptl_crystal_colour            colorless
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_exptl_crystal_description       prismatic
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_refine_ls_hydrogen_treatment    refU
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_refine_ls_number_reflns         1343
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_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F~o~)+0.0002F~o~^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.036
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_cod_data_source_file            pa1190.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value ' 1/[\s^2^(F~o~)+0.0002F~o~^2^]'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
1/[\s^2^(F~o~)+0.0002F~o~^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1270.0(10)
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