A Schiff base formed from sulfanilic acid and dimethylformamide
Hempel, Andrew; Camerman, Norman; Mastropaolo, Donald; Camerman, Arthur; Acta Crystallographica Section C 55 (1999) 697–698; doi:10.1107/S0108270198016060

data_2008316
_publ_section_title
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 A Schiff base formed from sulfanilic acid and dimethylformamide
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_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              697
_journal_page_last               698
_journal_paper_doi               10.1107/S0108270198016060
_journal_volume                  55
_journal_year                    1999
_chemical_formula_moiety         'C9 H12 N2 O3 S , H2 O'
_chemical_formula_sum            'C9 H14 N2 O4 S'
_chemical_formula_weight         246.28
_chemical_name_systematic
;
 4-imino(dimethylamino)benzenesulfonic acid
;
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_computing_cell_refinement       'Denzo-SMN Package  Software'
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_computing_molecular_graphics    'ORTEP-III (Burnett  Johnson, 1996)'
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_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Nonius Kappa CCD'
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_diffrn_reflns_theta_max         26.38
_diffrn_reflns_theta_min         4.16
_diffrn_standards_decay_%        none
_diffrn_standards_number         none
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_exptl_crystal_density_meas      ?
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_refine_ls_abs_structure_details 'Flack  (1983)'
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'w = 1/[\s^2^(Fo^2^)+(0.0280P)^2^+0.0709P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0818
_reflns_number_gt                1912
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_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bk1436.cif
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_cod_depositor_comments
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The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w =
1/[\s^2^(Fo^2^)+(0.0280P)^2^+0.0709P] where P=(Fo^2^+2Fc^2^)/3' 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^(Fo^2^)+(0.0280P)^2^+0.0709P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_database_code               2008316
_cod_database_fobs_code          2008316