Crystal structure of N-[(methylsulfonyl)oxy]-N-((E)-2-(methylsulfonyl)oxy]imino-1,2-diphenylethylidene)amine, C16H16N2O6S2
Ismail Warad; Mohammed Ghazzali; Saud Al-Resayes; Khalid Al-Farhan; Zied Al-Othman; Zeitschrift für Kristallographie - New Crystal Structures 225 (2010) 611–; doi:

data_8102782
_publ_section_title
;
 Crystal structure of
 N-[(methylsulfonyl)oxy]-N-((E)-2-(methylsulfonyl)oxy]imino-1,2-diphenylethylidene)amine,
 C16H16N2O6S2
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              611
_journal_volume                  225
_journal_year                    2010
_chemical_formula_moiety         'C16 H16 N2 O6 S2 '
_chemical_formula_sum            'C16 H16 N2 O6 S2'
_chemical_formula_weight         396.43
_chemical_melting_point          373
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                93.933(9)
_cell_angle_beta                 90.198(11)
_cell_angle_gamma                106.375(9)
_cell_formula_units_Z            1
_cell_length_a                   5.392(2)
_cell_length_b                   9.300(4)
_cell_length_c                   9.420(4)
_cell_measurement_reflns_used    4430
_cell_measurement_temperature    293
_cell_measurement_theta_max      27.7
_cell_measurement_theta_min      3.0
_cell_volume                     452.0(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SHELXS97
_diffrn_ambient_temperature      293
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            2059
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    0.330
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.456
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             206.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.33
_refine_diff_density_min         -0.43
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     119
_refine_ls_number_reflns         2059
_refine_ls_R_factor_gt           0.0469
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0923P)^2^+0.2010P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1571
_reflns_number_gt                1741
_reflns_number_total             2059
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            1267-3082.cff
_cod_data_source_block           '_C16H16N2O6S2'
_cod_original_formula_sum        'C16 H16 N2 O6 S2 '
_cod_database_code               8102782