data_s
_audit_creation_date               2021-02-02
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_shelx_SHELXL_version_number       '2018/3'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C24 H27 I N2 O2, C H2 Cl2'
_chemical_formula_sum              'C25 H29 Cl2 I N2 O2'
_chemical_formula_weight           587.30
_chemical_melting_point            ?
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Cl' 'Cl' 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'I' 'I' -0.3257 6.8362 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N' 'N' 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system        'monoclinic'
_space_group_IT_number             14
_space_group_name_H-M_alt          'P 1 21/c 1'
_space_group_name_Hall             '-P 2ybc'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y-1/2, z-1/2'

_cell_length_a                     16.666(3)
_cell_length_b                     10.1915(18)
_cell_length_c                     16.848(3)
_cell_angle_alpha                  90
_cell_angle_beta                   115.579(9)
_cell_angle_gamma                  90
_cell_volume                       2581.2(8)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      9898
_cell_measurement_temperature      226.0
_cell_measurement_theta_max        68.194
_cell_measurement_theta_min        2.939
_shelx_estimated_absorpt_T_max     0.125
_shelx_estimated_absorpt_T_min     0.066
_exptl_absorpt_coefficient_mu      11.840
_exptl_absorpt_correction_T_max    0.1665
_exptl_absorpt_correction_T_min    0.0429
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1373 before and 0.0893 after correction.
The Ratio of minimum to maximum transmission is 0.2577.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              'clear light colourless'
_exptl_crystal_colour_lustre       clear
_exptl_crystal_colour_modifier     light
_exptl_crystal_colour_primary      colourless
_exptl_crystal_density_diffrn      1.511
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               1184
_exptl_crystal_size_max            0.5
_exptl_crystal_size_mid            0.4
_exptl_crystal_size_min            0.3
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0679
_diffrn_reflns_av_unetI/netI       0.0491
_diffrn_reflns_Laue_measured_fraction_full  0.993
_diffrn_reflns_Laue_measured_fraction_max  0.988
_diffrn_reflns_limit_h_max         20
_diffrn_reflns_limit_h_min         -20
_diffrn_reflns_limit_k_max         12
_diffrn_reflns_limit_k_min         -12
_diffrn_reflns_limit_l_max         14
_diffrn_reflns_limit_l_min         -20
_diffrn_reflns_number              25932
_diffrn_reflns_point_group_measured_fraction_full  0.993
_diffrn_reflns_point_group_measured_fraction_max  0.988
_diffrn_reflns_theta_full          67.679
_diffrn_reflns_theta_max           68.681
_diffrn_reflns_theta_min           2.939
_diffrn_ambient_temperature        226.0
_diffrn_detector_area_resol_mean   ?
_diffrn_measured_fraction_theta_full  0.993
_diffrn_measured_fraction_theta_max  0.988
_diffrn_measurement_device_type    'Bruker APEX-II CCD'
_diffrn_measurement_method         'φ and ω scans'
_diffrn_radiation_type             CuK\a
_diffrn_radiation_wavelength       1.54178
_diffrn_source                     ?
_diffrn_source_current             50.0
_diffrn_source_power               2.5
_diffrn_source_voltage             50.0
_diffrn_standards_number           0
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  4042
_reflns_number_total               4715
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression       'I > 2σ(I)'
_computing_cell_refinement         'SAINT V8.40A (?, 2016)'
_computing_data_collection         ?
_computing_data_reduction          'SAINT V8.40A (?, 2016)'
_computing_molecular_graphics      'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement    'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution      'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max           2.815
_refine_diff_density_min           -0.665
_refine_diff_density_rms           0.177
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.062
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       291
_refine_ls_number_reflns           4715
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.0845
_refine_ls_R_factor_gt             0.0762
_refine_ls_restrained_S_all        1.062
_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/[σ²(Fo²)+(0.1485P)²+5.7333P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.2174
_refine_ls_wR_factor_ref           0.2273
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C1(H1)
2.b Secondary CH2 refined with riding coordinates:
 C16(H16A,H16B), C22(H22A,H22B), C15(H15A,H15B), C9(H9A,H9B), C23(H23A,H23B),
 C3(H3A,H3B)
2.c Aromatic/amide H refined with riding coordinates:
 N2(H2), C8(H8), C14(H14), C20(H20), C25(H25), C13(H13), C7(H7), C2(H2A),
 C19(H19), C5(H5)
2.d Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C), C11(H11A,H11B,H11C)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       dual
_atom_sites_solution_secondary     ?
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  _atom_site_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 I1 I 0.32996(3) -0.12812(4) 0.38952(3) 0.0587(2) Uani 1 1 d . . . . .
 Cl1 Cl 0.0592(3) 0.5603(4) 0.2709(3) 0.1363(14) Uani 1 1 d . . . . .
 Cl2 Cl 0.0686(3) 0.8210(4) 0.3398(3) 0.1254(12) Uani 1 1 d . . . . .
 O1 O 0.5194(4) 0.1021(5) 0.2668(4) 0.0570(12) Uani 1 1 d . . . . .
 O3 O 0.3117(4) 0.5710(5) 0.3583(4) 0.0641(13) Uani 1 1 d . . . . .
 N2 N 0.5070(4) 0.3187(6) 0.2850(4) 0.0517(12) Uani 1 1 d . . . . .
 H2 H 0.488945 0.393719 0.258666 0.062 Uiso 1 1 calc R U . . .
 N1 N 0.2686(4) 0.5021(6) 0.2183(4) 0.0545(13) Uani 1 1 d . . . . .
 C1 C 0.5455(5) 0.3153(7) 0.3805(4) 0.0501(14) Uani 1 1 d . . . . .
 H1 H 0.559957 0.222924 0.399466 0.060 Uiso 1 1 calc R U . . .
 C4 C 0.3208(5) 0.0765(8) 0.3739(5) 0.0536(16) Uani 1 1 d . . . . .
 C6 C 0.4979(5) 0.2113(7) 0.2351(5) 0.0515(14) Uani 1 1 d . . . . .
 C8 C 0.6300(5) 0.3944(7) 0.4220(5) 0.0519(15) Uani 1 1 d . . . . .
 H8 H 0.651947 0.412068 0.482551 0.062 Uiso 1 1 calc R U . . .
 C10 C 0.7587(5) 0.5184(7) 0.4221(5) 0.0539(15) Uani 1 1 d . . . . .
 C12 C 0.3921(5) 0.2854(7) 0.3814(4) 0.0514(14) Uani 1 1 d . . . . .
 C14 C 0.2370(6) 0.1306(7) 0.3288(6) 0.0566(17) Uani 1 1 d . . . . .
 H14 H 0.185457 0.079302 0.312950 0.068 Uiso 1 1 calc R U . . .
 C16 C 0.4769(5) 0.3647(6) 0.4125(5) 0.0525(15) Uani 1 1 d . . . . .
 H16A H 0.505049 0.365242 0.477035 0.063 Uiso 1 1 calc R U . . .
 H16B H 0.461300 0.455543 0.392827 0.063 Uiso 1 1 calc R U . . .
 C18 C 0.2970(5) 0.4836(7) 0.3040(5) 0.0526(15) Uani 1 1 d . . . . .
 C20 C 0.6763(5) 0.4414(7) 0.3812(5) 0.0530(15) Uani 1 1 d . . . . .
 H20 H 0.654423 0.423910 0.320662 0.064 Uiso 1 1 calc R U . . .
 C22 C 0.2586(6) 0.4030(8) 0.1505(5) 0.0622(17) Uani 1 1 d . . . . .
 H22A H 0.200763 0.358920 0.129102 0.075 Uiso 1 1 calc R U . . .
 H22B H 0.305971 0.337119 0.173320 0.075 Uiso 1 1 calc R U . . .
 C24 C 0.3087(5) 0.3392(6) 0.3334(5) 0.0499(14) Uani 1 1 d . . . . .
 C25 C 0.8172(6) 0.5220(10) 0.3828(6) 0.068(2) Uani 1 1 d . . . . .
 H25 H 0.802446 0.476624 0.329692 0.082 Uiso 1 1 calc R U . . .
 C13 C 0.7798(5) 0.5926(8) 0.4979(5) 0.0594(17) Uani 1 1 d . . . . .
 H13 H 0.739717 0.595655 0.523503 0.071 Uiso 1 1 calc R U . . .
 C7 C 0.3983(5) 0.1512(7) 0.4018(5) 0.0525(15) Uani 1 1 d . . . . .
 H7 H 0.454189 0.112067 0.433928 0.063 Uiso 1 1 calc R U . . .
 C15 C 0.2223(7) 0.6125(8) 0.0832(6) 0.069(2) Uani 1 1 d . . . . .
 H15A H 0.242529 0.683260 0.056881 0.083 Uiso 1 1 calc R U . . .
 H15B H 0.157325 0.605949 0.052035 0.083 Uiso 1 1 calc R U . . .
 C2 C 0.2314(5) 0.2639(7) 0.3076(5) 0.0549(15) Uani 1 1 d . . . . .
 H2A H 0.175423 0.303012 0.275933 0.066 Uiso 1 1 calc R U . . .
 C17 C 0.4605(6) 0.2347(9) 0.1370(5) 0.0603(17) Uani 1 1 d . . . . .
 H17A H 0.503703 0.207606 0.115978 0.091 Uiso 1 1 calc R U . . .
 H17B H 0.447434 0.327235 0.124836 0.091 Uiso 1 1 calc R U . . .
 H17C H 0.406291 0.184149 0.107290 0.091 Uiso 1 1 calc R U . . .
 C9 C 0.2515(6) 0.6364(7) 0.1800(6) 0.0592(18) Uani 1 1 d . . . . .
 H9A H 0.305604 0.689969 0.204833 0.071 Uiso 1 1 calc R U . . .
 H9B H 0.204690 0.680265 0.190596 0.071 Uiso 1 1 calc R U . . .
 C19 C 0.8602(6) 0.6632(9) 0.5369(6) 0.0664(19) Uani 1 1 d . . . . .
 H19 H 0.874833 0.709396 0.589703 0.080 Uiso 1 1 calc R U . . .
 C5 C 0.8955(6) 0.5900(10) 0.4198(7) 0.073(2) Uani 1 1 d . . . . .
 H5 H 0.934953 0.586960 0.393372 0.087 Uiso 1 1 calc R U . . .
 C21 C 0.9179(6) 0.6641(10) 0.4966(7) 0.071(2) Uani 1 1 d . . . . .
 C11 C 1.0022(7) 0.7453(12) 0.5353(9) 0.093(3) Uani 1 1 d . . . . .
 H11A H 0.987233 0.836340 0.539103 0.139 Uiso 1 1 calc R U . . .
 H11B H 1.032967 0.738540 0.498021 0.139 Uiso 1 1 calc R U . . .
 H11C H 1.040479 0.713011 0.593728 0.139 Uiso 1 1 calc R U . . .
 C23 C 0.2656(7) 0.4838(10) 0.0796(6) 0.075(2) Uani 1 1 d . . . . .
 H23A H 0.234190 0.441803 0.021988 0.090 Uiso 1 1 calc R U . . .
 H23B H 0.327989 0.496916 0.091215 0.090 Uiso 1 1 calc R U . . .
 C3 C 0.1169(8) 0.6666(11) 0.3588(9) 0.087(3) Uani 1 1 d . . . . .
 H3A H 0.117264 0.630156 0.412744 0.105 Uiso 1 1 calc R U . . .
 H3B H 0.178724 0.674112 0.367284 0.105 Uiso 1 1 calc R U . . .


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 I1 C4 2.099(8) . ?
 Cl1 C3 1.749(13) . ?
 Cl2 C3 1.733(12) . ?
 O1 C6 1.219(9) . ?
 O3 C18 1.224(9) . ?
 N2 H2 0.8700 . ?
 N2 C1 1.453(9) . ?
 N2 C6 1.348(9) . ?
 N1 C18 1.326(10) . ?
 N1 C22 1.479(10) . ?
 N1 C9 1.487(9) . ?
 C1 H1 0.9900 . ?
 C1 C8 1.508(10) . ?
 C1 C16 1.545(10) . ?
 C4 C14 1.385(12) . ?
 C4 C7 1.395(11) . ?
 C6 C17 1.512(10) . ?
 C8 H8 0.9400 . ?
 C8 C20 1.324(11) . ?
 C10 C20 1.469(10) . ?
 C10 C25 1.396(11) . ?
 C10 C13 1.393(11) . ?
 C12 C16 1.512(10) . ?
 C12 C24 1.384(11) . ?
 C12 C7 1.403(11) . ?
 C14 H14 0.9400 . ?
 C14 C2 1.397(10) . ?
 C16 H16A 0.9800 . ?
 C16 H16B 0.9800 . ?
 C18 C24 1.538(9) . ?
 C20 H20 0.9400 . ?
 C22 H22A 0.9800 . ?
 C22 H22B 0.9800 . ?
 C22 C23 1.497(13) . ?
 C24 C2 1.399(11) . ?
 C25 H25 0.9400 . ?
 C25 C5 1.368(13) . ?
 C13 H13 0.9400 . ?
 C13 C19 1.408(12) . ?
 C7 H7 0.9400 . ?
 C15 H15A 0.9800 . ?
 C15 H15B 0.9800 . ?
 C15 C9 1.508(13) . ?
 C15 C23 1.511(13) . ?
 C2 H2A 0.9400 . ?
 C17 H17A 0.9700 . ?
 C17 H17B 0.9700 . ?
 C17 H17C 0.9700 . ?
 C9 H9A 0.9800 . ?
 C9 H9B 0.9800 . ?
 C19 H19 0.9400 . ?
 C19 C21 1.397(13) . ?
 C5 H5 0.9400 . ?
 C5 C21 1.403(15) . ?
 C21 C11 1.515(13) . ?
 C11 H11A 0.9700 . ?
 C11 H11B 0.9700 . ?
 C11 H11C 0.9700 . ?
 C23 H23A 0.9800 . ?
 C23 H23B 0.9800 . ?
 C3 H3A 0.9800 . ?
 C3 H3B 0.9800 . ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 C1 N2 H2 118.4 . . ?
 C6 N2 H2 118.4 . . ?
 C6 N2 C1 123.3(6) . . ?
 C18 N1 C22 127.8(6) . . ?
 C18 N1 C9 121.0(6) . . ?
 C22 N1 C9 110.9(6) . . ?
 N2 C1 H1 108.1 . . ?
 N2 C1 C8 112.3(6) . . ?
 N2 C1 C16 109.9(6) . . ?
 C8 C1 H1 108.1 . . ?
 C8 C1 C16 110.3(6) . . ?
 C16 C1 H1 108.1 . . ?
 C14 C4 I1 117.7(6) . . ?
 C14 C4 C7 122.4(7) . . ?
 C7 C4 I1 119.6(6) . . ?
 O1 C6 N2 122.3(7) . . ?
 O1 C6 C17 121.8(6) . . ?
 N2 C6 C17 115.8(6) . . ?
 C1 C8 H8 117.0 . . ?
 C20 C8 C1 126.0(7) . . ?
 C20 C8 H8 117.0 . . ?
 C25 C10 C20 119.6(7) . . ?
 C13 C10 C20 122.4(7) . . ?
 C13 C10 C25 117.9(7) . . ?
 C24 C12 C16 122.9(7) . . ?
 C24 C12 C7 118.6(7) . . ?
 C7 C12 C16 118.5(7) . . ?
 C4 C14 H14 121.1 . . ?
 C4 C14 C2 117.9(7) . . ?
 C2 C14 H14 121.1 . . ?
 C1 C16 H16A 108.5 . . ?
 C1 C16 H16B 108.5 . . ?
 C12 C16 C1 115.2(6) . . ?
 C12 C16 H16A 108.5 . . ?
 C12 C16 H16B 108.5 . . ?
 H16A C16 H16B 107.5 . . ?
 O3 C18 N1 124.9(7) . . ?
 O3 C18 C24 120.0(6) . . ?
 N1 C18 C24 115.1(6) . . ?
 C8 C20 C10 125.8(7) . . ?
 C8 C20 H20 117.1 . . ?
 C10 C20 H20 117.1 . . ?
 N1 C22 H22A 111.2 . . ?
 N1 C22 H22B 111.2 . . ?
 N1 C22 C23 102.7(7) . . ?
 H22A C22 H22B 109.1 . . ?
 C23 C22 H22A 111.2 . . ?
 C23 C22 H22B 111.2 . . ?
 C12 C24 C18 121.5(6) . . ?
 C12 C24 C2 121.5(6) . . ?
 C2 C24 C18 117.0(6) . . ?
 C10 C25 H25 119.3 . . ?
 C5 C25 C10 121.5(8) . . ?
 C5 C25 H25 119.3 . . ?
 C10 C13 H13 119.3 . . ?
 C10 C13 C19 121.3(8) . . ?
 C19 C13 H13 119.3 . . ?
 C4 C7 C12 119.3(7) . . ?
 C4 C7 H7 120.3 . . ?
 C12 C7 H7 120.3 . . ?
 H15A C15 H15B 108.9 . . ?
 C9 C15 H15A 110.9 . . ?
 C9 C15 H15B 110.9 . . ?
 C9 C15 C23 104.3(7) . . ?
 C23 C15 H15A 110.9 . . ?
 C23 C15 H15B 110.9 . . ?
 C14 C2 C24 120.2(7) . . ?
 C14 C2 H2A 119.9 . . ?
 C24 C2 H2A 119.9 . . ?
 C6 C17 H17A 109.5 . . ?
 C6 C17 H17B 109.5 . . ?
 C6 C17 H17C 109.5 . . ?
 H17A C17 H17B 109.5 . . ?
 H17A C17 H17C 109.5 . . ?
 H17B C17 H17C 109.5 . . ?
 N1 C9 C15 103.4(6) . . ?
 N1 C9 H9A 111.1 . . ?
 N1 C9 H9B 111.1 . . ?
 C15 C9 H9A 111.1 . . ?
 C15 C9 H9B 111.1 . . ?
 H9A C9 H9B 109.0 . . ?
 C13 C19 H19 120.3 . . ?
 C21 C19 C13 119.4(8) . . ?
 C21 C19 H19 120.3 . . ?
 C25 C5 H5 119.5 . . ?
 C25 C5 C21 121.0(8) . . ?
 C21 C5 H5 119.5 . . ?
 C19 C21 C5 118.7(8) . . ?
 C19 C21 C11 120.0(10) . . ?
 C5 C21 C11 121.3(9) . . ?
 C21 C11 H11A 109.5 . . ?
 C21 C11 H11B 109.5 . . ?
 C21 C11 H11C 109.5 . . ?
 H11A C11 H11B 109.5 . . ?
 H11A C11 H11C 109.5 . . ?
 H11B C11 H11C 109.5 . . ?
 C22 C23 C15 104.0(8) . . ?
 C22 C23 H23A 111.0 . . ?
 C22 C23 H23B 111.0 . . ?
 C15 C23 H23A 111.0 . . ?
 C15 C23 H23B 111.0 . . ?
 H23A C23 H23B 109.0 . . ?
 Cl1 C3 H3A 109.4 . . ?
 Cl1 C3 H3B 109.4 . . ?
 Cl2 C3 Cl1 111.4(7) . . ?
 Cl2 C3 H3A 109.4 . . ?
 Cl2 C3 H3B 109.4 . . ?
 H3A C3 H3B 108.0 . . ?

loop_
  _geom_torsion_atom_site_label_1
  _geom_torsion_atom_site_label_2
  _geom_torsion_atom_site_label_3
  _geom_torsion_atom_site_label_4
  _geom_torsion
  _geom_torsion_site_symmetry_1
  _geom_torsion_site_symmetry_2
  _geom_torsion_site_symmetry_3
  _geom_torsion_site_symmetry_4
  _geom_torsion_publ_flag
 I1 C4 C14 C2 -171.3(6) . . . . ?
 I1 C4 C7 C12 172.1(5) . . . . ?
 O3 C18 C24 C12 -71.4(9) . . . . ?
 O3 C18 C24 C2 110.1(8) . . . . ?
 N2 C1 C8 C20 -12.9(10) . . . . ?
 N2 C1 C16 C12 60.7(8) . . . . ?
 N1 C18 C24 C12 110.3(8) . . . . ?
 N1 C18 C24 C2 -68.1(9) . . . . ?
 N1 C22 C23 C15 -34.5(9) . . . . ?
 C1 N2 C6 O1 2.0(11) . . . . ?
 C1 N2 C6 C17 -177.2(6) . . . . ?
 C1 C8 C20 C10 -179.9(7) . . . . ?
 C4 C14 C2 C24 -1.4(11) . . . . ?
 C6 N2 C1 C8 116.7(7) . . . . ?
 C6 N2 C1 C16 -120.2(7) . . . . ?
 C8 C1 C16 C12 -175.0(6) . . . . ?
 C10 C25 C5 C21 -3.2(16) . . . . ?
 C10 C13 C19 C21 3.1(13) . . . . ?
 C12 C24 C2 C14 -1.1(11) . . . . ?
 C14 C4 C7 C12 -2.1(11) . . . . ?
 C16 C1 C8 C20 -135.9(7) . . . . ?
 C16 C12 C24 C18 3.4(10) . . . . ?
 C16 C12 C24 C2 -178.2(6) . . . . ?
 C16 C12 C7 C4 179.8(6) . . . . ?
 C18 N1 C22 C23 -155.1(8) . . . . ?
 C18 N1 C9 C15 179.1(7) . . . . ?
 C18 C24 C2 C14 177.4(7) . . . . ?
 C20 C10 C25 C5 -178.5(9) . . . . ?
 C20 C10 C13 C19 178.6(8) . . . . ?
 C22 N1 C18 O3 173.0(8) . . . . ?
 C22 N1 C18 C24 -8.9(11) . . . . ?
 C22 N1 C9 C15 5.0(9) . . . . ?
 C24 C12 C16 C1 -121.9(7) . . . . ?
 C24 C12 C7 C4 -0.5(10) . . . . ?
 C25 C10 C20 C8 157.0(8) . . . . ?
 C25 C10 C13 C19 -3.6(12) . . . . ?
 C25 C5 C21 C19 2.6(15) . . . . ?
 C25 C5 C21 C11 -176.8(11) . . . . ?
 C13 C10 C20 C8 -25.2(12) . . . . ?
 C13 C10 C25 C5 3.7(13) . . . . ?
 C13 C19 C21 C5 -2.5(14) . . . . ?
 C13 C19 C21 C11 176.9(10) . . . . ?
 C7 C4 C14 C2 3.0(11) . . . . ?
 C7 C12 C16 C1 57.8(9) . . . . ?
 C7 C12 C24 C18 -176.4(6) . . . . ?
 C7 C12 C24 C2 2.0(10) . . . . ?
 C9 N1 C18 O3 -0.1(12) . . . . ?
 C9 N1 C18 C24 178.1(6) . . . . ?
 C9 N1 C22 C23 18.5(9) . . . . ?
 C9 C15 C23 C22 38.6(10) . . . . ?
 C23 C15 C9 N1 -26.4(9) . . . . ?

_olex2_submission_special_instructions  'No special instructions were received'
