The synthesis and application of (E)-N′-(benzo[d]dioxol-5-ylmethylene)-4-methyl-benzenesulfonohydrazide for the detection of carcinogenic lead
Rahman, Mohammed M.; Hussain, Mohammad Musarraf; Arshad, Muhammad Nadeem; Asiri, Abdullah M.; RSC Advances 10 (2020) 5316–5327; doi:10.1039/C9RA09080K

data_7239867
_publ_section_title
;
 The synthesis and application of
 (E)-N&#x2032;-(benzo[d]dioxol-5-ylmethylene)-4-methyl-benzenesulfonohydrazide
 for the detection of carcinogenic lead
;
_journal_issue                   9
_journal_name_full               'RSC Advances'
_journal_page_first              5316
_journal_page_last               5327
_journal_paper_doi               10.1039/C9RA09080K
_journal_volume                  10
_journal_year                    2020
_chemical_formula_moiety         'C15 H14 N2 O4 S'
_chemical_formula_sum            'C15 H14 N2 O4 S'
_chemical_formula_weight         318.34
_chemical_name_common
;
<i>N</i>'-[(<i>Z</i>)-1,3-benzodioxol-5-ylmethylidene]-4-methyl
benzenesulfonohydrazide
;
_chemical_name_systematic
;
<i>N</i>'-[(<i>Z</i>)-1,3-benzodioxol-5-ylmethylidene]-4-methyl
benzenesulfonohydrazide
;
_space_group_crystal_system      hexagonal
_space_group_IT_number           170
_space_group_name_Hall           'P 65'
_space_group_name_H-M_alt        'P 65'
_audit_creation_date             2017-12-06
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  Olex2 1.2-ac2
  (compiled 2012.03.27 svn.r2268, GUI svn.r4156)
;
_audit_update_record
;
2017-12-07 deposited with the CCDC.	2019-12-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   11.4162(4)
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_cell_length_c                   20.9435(7)
_cell_measurement_reflns_used    7449
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      29.1205
_cell_measurement_theta_min      2.8277
_cell_volume                     2363.87(14)
_computing_cell_refinement       'CrysAlis PRO (Agilent, 2012)'
_computing_data_collection       'CrysAlis PRO (Agilent, 2012)'
_computing_data_reduction        'CrysAlis PRO (Agilent, 2012)'
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXL-2016/6 (Sheldrick, 2016)'
_diffrn_ambient_temperature      296(2)
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_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas, CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0378
_diffrn_reflns_av_unetI/netI     0.0971
_diffrn_reflns_Laue_measured_fraction_full 0.999
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;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.342
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             996
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.31
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_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.07(12)
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_refine_ls_number_reflns         3955
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_refine_ls_shift/su_mean         0.000
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                1843
_reflns_number_total             3354
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9ra09080k2.cif
_cod_data_source_block           nadeem_17073
_cod_depositor_comments
'Adding full bibliography for 7239866--7239867.cif.'
_cod_original_cell_volume        2363.87(18)
_cod_database_code               7239867
_shelx_res_checksum              88030
_shelx_shelxl_version_number     2016/6