Two (<i>E</i>)-2-arylidene-1,4-di-<i>p</i>-tosyl-1,2,3,4-tetrahydroquinoxaline compounds: supramolecular frameworks built with C—H···O and C—H···π(arene) hydrogen bonds and π–π stacking interactions
Soumen Ghosh; Rupa Mukhopadhyay; Madeleine Helliwell; Alok K. Mukherjee; Acta Crystallographica Section C 63 (2007) o496–o500; doi:10.1107/S0108270107032234

data_2016110
_publ_section_title
;
 Two
 (<i>E</i>)-2-arylidene-1,4-di-<i>p</i>-tosyl-1,2,3,4-tetrahydroquinoxaline
 compounds: supramolecular frameworks built with
 C---H&#x00B7;&#x00B7;&#x00B7;O and
 C---H&#x00B7;&#x00B7;&#x00B7;\p(arene) hydrogen bonds and \p--\p
 stacking interactions
;
_journal_coeditor_code           SK3138
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              o496
_journal_page_last               o500
_journal_paper_doi               10.1107/S0108270107032234
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          'C30 H28 N2 O5 S2'
_chemical_formula_moiety         'C30 H28 N2 O5 S2'
_chemical_formula_sum            'C30 H28 N2 O5 S2'
_chemical_formula_weight         560.66
_chemical_melting_point          442
_chemical_name_common
2-(2-methoxyphenylonethylidene)-1,4-di-p-tosyl-1,2,3,4-tetraquinoxaline
_chemical_name_systematic
;
(E)-2-(2-methoxybenzylidene)-1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxaline
;
_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_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.314(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.4081(5)
_cell_length_b                   24.0202(11)
_cell_length_c                   10.2842(5)
_cell_measurement_reflns_used    9506
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.38
_cell_measurement_theta_min      2.59
_cell_volume                     2566.8(2)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        SMART
_computing_molecular_graphics
;
ORTEP-3 for Windows (Version 1.06; Farrugia, 1997) and CAMERON (Watkin
<i>et al.</i>,  1993)
;
_computing_publication_material  'SHELXL97 and PARST 95 (Nardelli, 1995)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0302
_diffrn_reflns_av_sigmaI/netI    0.0262
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            14680
_diffrn_reflns_theta_full        26.38
_diffrn_reflns_theta_max         26.38
_diffrn_reflns_theta_min         1.96
_exptl_absorpt_coefficient_mu    0.254
_exptl_absorpt_correction_T_max  0.9077
_exptl_absorpt_correction_T_min  0.8865
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.451
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1176
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.438
_refine_diff_density_min         -0.362
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         5223
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0356
_refine_ls_R_factor_gt           0.0321
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0517P)^2^+0.8776P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0886
_refine_ls_wR_factor_ref         0.0904
_reflns_number_gt                4688
_reflns_number_total             5223
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sk3138.cif
_cod_data_source_block           II
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2016110
_cod_database_fobs_code          2016110