<i>N</i>,<i>N</i>'-(Ethane-1,2-diyl)bis(2-chlorobenzamide)
Mohamooda Sumaya, U.; Reuben Jonathan, D.; Dravida Thendral, E. R. A.; Revathi, B. K.; Usha, G.; IUCrData 1 (2016) x161190–; doi:10.1107/S2414314616011901

data_1543740
_publ_section_title
;
 <i>N</i>,<i>N</i>'-(Ethane-1,2-diyl)bis(2-chlorobenzamide)
;
_journal_issue                   7
_journal_name_full               IUCrData
_journal_page_first              x161190
_journal_paper_doi               10.1107/S2414314616011901
_journal_volume                  1
_journal_year                    2016
_chemical_formula_iupac          'C16 H14 Cl2 N2 O2'
_chemical_formula_moiety         'C16 H14 Cl2 N2 O2'
_chemical_formula_sum            'C16 H14 Cl2 N2 O2'
_chemical_formula_weight         337.19
_chemical_name_systematic
;
<i>N</i>,<i>N</i>'-(Ethane-1,2-diyl)bis(2-chlorobenzamide)
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           'SHELXL-2014/7.(Sheldrick, 2014)'
_cell_angle_alpha                90
_cell_angle_beta                 104.189(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.9667(6)
_cell_length_b                   23.701(3)
_cell_length_c                   7.1113(8)
_cell_measurement_reflns_used    6198
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.26
_cell_measurement_theta_min      2.57
_cell_volume                     811.57(17)
_computing_cell_refinement
;
APEX2 and SAINT (Bruker, 2004)
;
_computing_data_collection
;
APEX2 (Bruker, 2004)
;
_computing_data_reduction
;
SAINT and XPREP (Bruker, 2004)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012)
;
_computing_publication_material
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SIR92 (Altomare <i>et al.</i>,  1993)
;
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker Kappa APEXII CCD'
_diffrn_measurement_method       '\w and \f scan'
_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  0.0609
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            11558
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         3.077
_exptl_absorpt_coefficient_mu    0.407
_exptl_absorpt_correction_T_max  0.922
_exptl_absorpt_correction_T_min  0.885
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2004)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.380
_exptl_crystal_description       block
_exptl_crystal_F_000             348
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.402
_refine_diff_density_min         -0.317
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.168
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     105
_refine_ls_number_reflns         11558
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.168
_refine_ls_R_factor_all          0.0735
_refine_ls_R_factor_gt           0.0641
_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^)+1.3152P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1512
_refine_ls_wR_factor_ref         0.1561
_reflns_number_gt                1429
_reflns_number_total             1429
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            su4058sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        811.59(17)
_cod_database_code               1543740
_cod_database_fobs_code          1543740
_shelx_estimated_absorpt_t_min   0.886
_shelx_estimated_absorpt_t_max   0.923
_shelx_hkl_checksum              18601
_shelx_res_checksum              46141