Different supramolecular architectures mediated by different weak interactions in the crystals of three N-aryl-2,5-dimethoxybenzenesulfonamides.
Shakuntala, K.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.; Abdoh, M.; Acta crystallographica. Section C, Structural chemistry 73 (2017) 833–844; doi:10.1107/S2053229617013195

data_2311927
_publ_section_title
;
 Different supramolecular architectures mediated by different weak
 interactions in the crystals of three
 N-aryl-2,5-dimethoxybenzenesulfonamides.
;
_journal_issue                   'Pt 10'
_journal_name_full
'Acta crystallographica. Section C, Structural chemistry'
_journal_page_first              833
_journal_page_last               844
_journal_paper_doi               10.1107/S2053229617013195
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          'C16 H19 N O4 S'
_chemical_formula_moiety         'C16 H19 N O4 S'
_chemical_formula_sum            'C16 H19 N O4 S'
_chemical_formula_weight         321.38
_chemical_name_systematic
;
<i>N</i>-(2,4-Dimethylphenyl)-2,5-dimethoxybenzenesulfonamide
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2016/4
_cell_angle_alpha                70.522(5)
_cell_angle_beta                 80.171(5)
_cell_angle_gamma                78.856(5)
_cell_formula_units_Z            2
_cell_length_a                   8.2859(14)
_cell_length_b                   8.7197(15)
_cell_length_c                   12.232(2)
_cell_measurement_reflns_used    136
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      64.5
_cell_measurement_theta_min      3.9
_cell_volume                     812.1(2)
_computing_cell_refinement
;
APEX2 and SAINT-Plus (Bruker, 2009)
;
_computing_data_collection
;
APEX2 (Bruker, 2009)
;
_computing_data_reduction
;
SAINTPlus and XPREP (Bruker, 2009)
;
_computing_molecular_graphics
;
Mercury (Macrae <i>et al.</i>,  2008)
;
_computing_publication_material
;
SHELXL2016 (Sheldrick, 2015b)
;
_computing_structure_refinement
;
SHELXL2016 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT2016 (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Bruker APEXII CCD area'
_diffrn_measurement_method       'phi and \f scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0332
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7355
_diffrn_reflns_theta_full        64.458
_diffrn_reflns_theta_max         64.458
_diffrn_reflns_theta_min         3.859
_exptl_absorpt_coefficient_mu    1.923
_exptl_absorpt_correction_T_max  0.681
_exptl_absorpt_correction_T_min  0.649
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2009)
;
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.314
_exptl_crystal_description       Prism
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_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.193
_refine_diff_density_min         -0.390
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         2648
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.986
_refine_ls_R_factor_all          0.0438
_refine_ls_R_factor_gt           0.0430
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1080P)^2^+0.1180P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1346
_refine_ls_wR_factor_ref         0.1366
_reflns_number_gt                2563
_reflns_number_total             2648
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            yp3146sup1.cif
_cod_data_source_block           III
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_shelx_estimated_absorpt_t_min   0.645
_shelx_estimated_absorpt_t_max   0.700
_shelx_hkl_checksum              71562
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