# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelxl
_database_code_depnum_ccdc_archive 'CCDC 1962682'
loop_
_audit_author_name
_audit_author_address
'Rong Zhou'
;Taiyuan University of Technology
China
;
_audit_update_record             
;
2019-10-31 deposited with the CCDC.	2019-12-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C25 H22.50 Cl0.50 N3 O3'
_chemical_formula_weight         430.68

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.3937(17)
_cell_length_b                   9.2600(19)
_cell_length_c                   13.938(3)
_cell_angle_alpha                90.66(3)
_cell_angle_beta                 93.39(3)
_cell_angle_gamma                95.51(3)
_cell_volume                     1076.3(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    113(2)
_cell_measurement_reflns_used    2548
_cell_measurement_theta_min      2.2099
_cell_measurement_theta_max      27.9183

_exptl_crystal_description       block
_exptl_crystal_colour            Colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.329
_exptl_crystal_F_000             452
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    0.148
_shelx_estimated_absorpt_T_min   0.971
_shelx_estimated_absorpt_T_max   0.982
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.7838
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_process_details   crystalclear
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      113(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'rigaku saturn'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            10248
_diffrn_reflns_av_unetI/netI     0.0589
_diffrn_reflns_av_R_equivalents  0.0470
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.210
_diffrn_reflns_theta_max         25.018
_diffrn_reflns_theta_full        25.018
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             3777
_reflns_number_gt                2551
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       crystalclear
_computing_cell_refinement       crystalclear
_computing_data_reduction        crystalclear
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0614P)²+0.3144P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.049(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         3777
_refine_ls_number_parameters     291
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0863
_refine_ls_R_factor_gt           0.0555
_refine_ls_wR_factor_ref         0.1474
_refine_ls_wR_factor_gt          0.1340
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.058
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Cl1 Cl 0.92603(19) 0.04973(18) 0.51700(13) 0.0597(5) Uani 0.5 1 d . . P . .
O1 O 0.1452(2) 0.33095(19) 0.83623(14) 0.0427(5) Uani 1 1 d . . . . .
O2 O 0.0994(2) -0.1786(2) 0.75645(14) 0.0431(5) Uani 1 1 d . . . . .
O3 O 0.2803(2) -0.26729(19) 0.66277(13) 0.0410(5) Uani 1 1 d . . . . .
N1 N 0.1460(3) 0.2059(2) 0.97846(15) 0.0317(5) Uani 1 1 d . . . . .
N2 N 0.2802(3) 0.0843(2) 0.76225(16) 0.0383(6) Uani 1 1 d . . . . .
N3 N 0.3391(3) -0.0468(2) 0.73205(16) 0.0366(6) Uani 1 1 d . . . . .
C1 C 0.0911(3) 0.3148(3) 1.0408(2) 0.0353(7) Uani 1 1 d . . . . .
H1A H 0.009020 0.267387 1.081314 0.042 Uiso 1 1 calc R U . . .
H1B H 0.038956 0.386370 1.000519 0.042 Uiso 1 1 calc R U . . .
C2 C 0.2227(3) 0.3946(2) 1.10545(19) 0.0300(6) Uani 1 1 d . . . . .
C3 C 0.3841(3) 0.3947(3) 1.08646(19) 0.0334(6) Uani 1 1 d . . . . .
H3 H 0.413335 0.339834 1.033342 0.040 Uiso 1 1 calc R U . . .
C4 C 0.5023(3) 0.4737(3) 1.1441(2) 0.0393(7) Uani 1 1 d . . . . .
H4 H 0.611672 0.473007 1.130319 0.047 Uiso 1 1 calc R U . . .
C5 C 0.4614(4) 0.5533(3) 1.2214(2) 0.0438(8) Uani 1 1 d . . . . .
H5 H 0.542209 0.608834 1.260371 0.053 Uiso 1 1 calc R U . . .
C6 C 0.3024(4) 0.5521(3) 1.2420(2) 0.0489(8) Uani 1 1 d . . . . .
H6 H 0.274183 0.605317 1.296071 0.059 Uiso 1 1 calc R U . . .
C7 C 0.1834(4) 0.4735(3) 1.1842(2) 0.0396(7) Uani 1 1 d . . . . .
H7 H 0.074272 0.473814 1.198714 0.048 Uiso 1 1 calc R U . . .
C8 C 0.1951(3) 0.0721(3) 1.00995(19) 0.0298(6) Uani 1 1 d . . . . .
C9 C 0.1921(3) 0.0189(3) 1.1019(2) 0.0351(7) Uani 1 1 d . . . . .
H9 H 0.151219 0.071282 1.152470 0.042 Uiso 1 1 calc R U . . .
C10 C 0.2512(3) -0.1139(3) 1.11741(19) 0.0355(7) Uani 1 1 d . . . . .
H10 H 0.250565 -0.153462 1.179983 0.043 Uiso 1 1 calc R U . . .
C11 C 0.3112(3) -0.1906(3) 1.04387(19) 0.0349(7) Uani 1 1 d . . . . .
H11 H 0.351863 -0.281060 1.056839 0.042 Uiso 1 1 calc R U . . .
C12 C 0.3125(3) -0.1364(3) 0.95141(19) 0.0332(6) Uani 1 1 d . . . . .
H12 H 0.354424 -0.188479 0.901115 0.040 Uiso 1 1 calc R U . . .
C13 C 0.2515(3) -0.0052(3) 0.93400(18) 0.0298(6) Uani 1 1 d . . . . .
C14 C 0.2398(3) 0.0879(3) 0.84954(19) 0.0319(6) Uani 1 1 d . . . . .
C15 C 0.1713(3) 0.2245(3) 0.8830(2) 0.0342(7) Uani 1 1 d . . . . .
C16 C 0.4778(4) -0.0228(3) 0.67733(19) 0.0413(7) Uani 1 1 d . . . . .
C17 C 0.4967(5) 0.0973(3) 0.6196(2) 0.0587(10) Uani 1 1 d . . . . .
H17 H 0.415079 0.161286 0.612215 0.070 Uiso 1 1 calc R U . . .
C18 C 0.6402(6) 0.1224(5) 0.5719(3) 0.0858(15) Uani 1 1 d . . . . .
H18 H 0.655833 0.204103 0.531730 0.103 Uiso 1 1 calc R U . . .
C19 C 0.7590(6) 0.0276(6) 0.5837(3) 0.0905(15) Uani 1 1 d . . . . .
C20 C 0.7365(5) -0.0901(5) 0.6410(3) 0.0762(12) Uani 1 1 d . . . . .
H20 H 0.817390 -0.154849 0.648338 0.091 Uiso 1 1 calc R U . . .
C21 C 0.5976(4) -0.1159(4) 0.6882(2) 0.0524(8) Uani 1 1 d . . . . .
H21 H 0.583549 -0.197666 0.728455 0.063 Uiso 1 1 calc R U . . .
C22 C 0.2273(4) -0.1663(3) 0.72002(19) 0.0352(7) Uani 1 1 d . . . . .
C23 C 0.1793(4) -0.4030(3) 0.6529(2) 0.0419(7) Uani 1 1 d . . . . .
H23A H 0.067130 -0.384198 0.635665 0.050 Uiso 1 1 calc R U . . .
H23B H 0.181819 -0.455266 0.714426 0.050 Uiso 1 1 calc R U . . .
C24 C 0.2404(4) -0.4923(3) 0.5760(2) 0.0545(9) Uani 1 1 d . . . . .
H24A H 0.355559 -0.502833 0.590555 0.065 Uiso 1 1 calc R U . . .
H24B H 0.229391 -0.443065 0.513578 0.065 Uiso 1 1 calc R U . . .
C25 C 0.1466(5) -0.6415(3) 0.5692(3) 0.0711(11) Uani 1 1 d . . . . .
H25A H 0.158594 -0.690302 0.630820 0.107 Uiso 1 1 calc R U . . .
H25B H 0.187867 -0.699352 0.518579 0.107 Uiso 1 1 calc R U . . .
H25C H 0.032955 -0.630769 0.553758 0.107 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
Cl1 Cl1 1.701(3) 2_756 ?
Cl1 C19 1.725(4) . ?
O1 C15 1.218(3) . ?
O2 C22 1.210(3) . ?
O3 C22 1.347(3) . ?
O3 C23 1.447(3) . ?
N1 C15 1.371(3) . ?
N1 C8 1.409(3) . ?
N1 C1 1.449(3) . ?
N2 C14 1.283(3) . ?
N2 N3 1.423(3) . ?
N3 C22 1.382(3) . ?
N3 C16 1.430(4) . ?
C1 C2 1.513(4) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C7 1.384(4) . ?
C2 C3 1.396(4) . ?
C3 C4 1.385(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.377(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.381(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.389(4) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C9 1.379(4) . ?
C8 C13 1.401(3) . ?
C9 C10 1.384(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.386(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.389(4) . ?
C11 H11 0.9500 . ?
C12 C13 1.381(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.471(4) . ?
C14 C15 1.518(3) . ?
C16 C17 1.382(4) . ?
C16 C21 1.389(4) . ?
C17 C18 1.411(5) . ?
C17 H17 0.9500 . ?
C18 C19 1.395(6) . ?
C18 H18 0.9500 . ?
C19 C20 1.364(6) . ?
C20 C21 1.375(5) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C23 C24 1.491(4) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.522(5) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 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
Cl1 Cl1 C19 138.3(3) 2_756 . ?
C22 O3 C23 115.4(2) . . ?
C15 N1 C8 110.7(2) . . ?
C15 N1 C1 124.6(2) . . ?
C8 N1 C1 124.4(2) . . ?
C14 N2 N3 115.6(2) . . ?
C22 N3 N2 116.1(2) . . ?
C22 N3 C16 124.1(2) . . ?
N2 N3 C16 112.9(2) . . ?
N1 C1 C2 114.1(2) . . ?
N1 C1 H1A 108.7 . . ?
C2 C1 H1A 108.7 . . ?
N1 C1 H1B 108.7 . . ?
C2 C1 H1B 108.7 . . ?
H1A C1 H1B 107.6 . . ?
C7 C2 C3 118.5(3) . . ?
C7 C2 C1 119.7(2) . . ?
C3 C2 C1 121.7(2) . . ?
C4 C3 C2 120.8(3) . . ?
C4 C3 H3 119.6 . . ?
C2 C3 H3 119.6 . . ?
C5 C4 C3 120.1(3) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C4 C5 C6 119.7(3) . . ?
C4 C5 H5 120.2 . . ?
C6 C5 H5 120.2 . . ?
C5 C6 C7 120.4(3) . . ?
C5 C6 H6 119.8 . . ?
C7 C6 H6 119.8 . . ?
C2 C7 C6 120.4(3) . . ?
C2 C7 H7 119.8 . . ?
C6 C7 H7 119.8 . . ?
C9 C8 C13 122.1(2) . . ?
C9 C8 N1 127.0(2) . . ?
C13 C8 N1 110.9(2) . . ?
C8 C9 C10 117.2(2) . . ?
C8 C9 H9 121.4 . . ?
C10 C9 H9 121.4 . . ?
C9 C10 C11 121.6(3) . . ?
C9 C10 H10 119.2 . . ?
C11 C10 H10 119.2 . . ?
C10 C11 C12 120.6(2) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 H11 119.7 . . ?
C13 C12 C11 118.7(3) . . ?
C13 C12 H12 120.6 . . ?
C11 C12 H12 120.6 . . ?
C12 C13 C8 119.6(2) . . ?
C12 C13 C14 134.3(2) . . ?
C8 C13 C14 105.9(2) . . ?
N2 C14 C13 136.5(2) . . ?
N2 C14 C15 116.8(2) . . ?
C13 C14 C15 106.5(2) . . ?
O1 C15 N1 126.0(2) . . ?
O1 C15 C14 128.0(3) . . ?
N1 C15 C14 106.0(2) . . ?
C17 C16 C21 120.6(3) . . ?
C17 C16 N3 120.2(3) . . ?
C21 C16 N3 119.1(3) . . ?
C16 C17 C18 118.4(4) . . ?
C16 C17 H17 120.8 . . ?
C18 C17 H17 120.8 . . ?
C19 C18 C17 120.1(4) . . ?
C19 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C20 C19 C18 120.1(4) . . ?
C20 C19 Cl1 119.9(4) . . ?
C18 C19 Cl1 119.8(4) . . ?
C19 C20 C21 120.6(4) . . ?
C19 C20 H20 119.7 . . ?
C21 C20 H20 119.7 . . ?
C20 C21 C16 120.2(4) . . ?
C20 C21 H21 119.9 . . ?
C16 C21 H21 119.9 . . ?
O2 C22 O3 124.7(3) . . ?
O2 C22 N3 124.5(3) . . ?
O3 C22 N3 110.8(2) . . ?
O3 C23 C24 108.4(2) . . ?
O3 C23 H23A 110.0 . . ?
C24 C23 H23A 110.0 . . ?
O3 C23 H23B 110.0 . . ?
C24 C23 H23B 110.0 . . ?
H23A C23 H23B 108.4 . . ?
C23 C24 C25 110.1(3) . . ?
C23 C24 H24A 109.6 . . ?
C25 C24 H24A 109.6 . . ?
C23 C24 H24B 109.6 . . ?
C25 C24 H24B 109.6 . . ?
H24A C24 H24B 108.2 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?

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
C14 N2 N3 C22 71.2(3) . . . . ?
C14 N2 N3 C16 -136.5(3) . . . . ?
C15 N1 C1 C2 -101.4(3) . . . . ?
C8 N1 C1 C2 72.3(3) . . . . ?
N1 C1 C2 C7 -163.7(2) . . . . ?
N1 C1 C2 C3 18.2(3) . . . . ?
C7 C2 C3 C4 -1.0(4) . . . . ?
C1 C2 C3 C4 177.1(2) . . . . ?
C2 C3 C4 C5 0.1(4) . . . . ?
C3 C4 C5 C6 1.0(4) . . . . ?
C4 C5 C6 C7 -1.3(4) . . . . ?
C3 C2 C7 C6 0.8(4) . . . . ?
C1 C2 C7 C6 -177.4(2) . . . . ?
C5 C6 C7 C2 0.4(4) . . . . ?
C15 N1 C8 C9 177.9(3) . . . . ?
C1 N1 C8 C9 3.5(4) . . . . ?
C15 N1 C8 C13 -1.6(3) . . . . ?
C1 N1 C8 C13 -176.1(2) . . . . ?
C13 C8 C9 C10 1.5(4) . . . . ?
N1 C8 C9 C10 -178.0(2) . . . . ?
C8 C9 C10 C11 0.1(4) . . . . ?
C9 C10 C11 C12 -0.6(4) . . . . ?
C10 C11 C12 C13 -0.5(4) . . . . ?
C11 C12 C13 C8 2.1(4) . . . . ?
C11 C12 C13 C14 176.4(3) . . . . ?
C9 C8 C13 C12 -2.7(4) . . . . ?
N1 C8 C13 C12 176.9(2) . . . . ?
C9 C8 C13 C14 -178.5(2) . . . . ?
N1 C8 C13 C14 1.1(3) . . . . ?
N3 N2 C14 C13 7.3(5) . . . . ?
N3 N2 C14 C15 -178.0(2) . . . . ?
C12 C13 C14 N2 -0.2(6) . . . . ?
C8 C13 C14 N2 174.7(3) . . . . ?
C12 C13 C14 C15 -175.2(3) . . . . ?
C8 C13 C14 C15 -0.3(3) . . . . ?
C8 N1 C15 O1 -177.8(2) . . . . ?
C1 N1 C15 O1 -3.3(4) . . . . ?
C8 N1 C15 C14 1.4(3) . . . . ?
C1 N1 C15 C14 175.8(2) . . . . ?
N2 C14 C15 O1 2.3(4) . . . . ?
C13 C14 C15 O1 178.4(3) . . . . ?
N2 C14 C15 N1 -176.8(2) . . . . ?
C13 C14 C15 N1 -0.6(3) . . . . ?
C22 N3 C16 C17 117.9(3) . . . . ?
N2 N3 C16 C17 -31.8(3) . . . . ?
C22 N3 C16 C21 -66.5(4) . . . . ?
N2 N3 C16 C21 143.7(3) . . . . ?
C21 C16 C17 C18 0.2(5) . . . . ?
N3 C16 C17 C18 175.7(3) . . . . ?
C16 C17 C18 C19 -0.2(5) . . . . ?
C17 C18 C19 C20 0.3(6) . . . . ?
C17 C18 C19 Cl1 174.2(3) . . . . ?
Cl1 Cl1 C19 C20 12.9(6) 2_756 . . . ?
Cl1 Cl1 C19 C18 -161.0(3) 2_756 . . . ?
C18 C19 C20 C21 -0.6(6) . . . . ?
Cl1 C19 C20 C21 -174.4(3) . . . . ?
C19 C20 C21 C16 0.6(5) . . . . ?
C17 C16 C21 C20 -0.4(5) . . . . ?
N3 C16 C21 C20 -176.0(3) . . . . ?
C23 O3 C22 O2 -5.4(4) . . . . ?
C23 O3 C22 N3 174.2(2) . . . . ?
N2 N3 C22 O2 -20.8(4) . . . . ?
C16 N3 C22 O2 -169.7(3) . . . . ?
N2 N3 C22 O3 159.5(2) . . . . ?
C16 N3 C22 O3 10.7(3) . . . . ?
C22 O3 C23 C24 171.0(2) . . . . ?
O3 C23 C24 C25 175.0(2) . . . . ?

_refine_diff_density_max         0.229
_refine_diff_density_min         -0.286
_refine_diff_density_rms         0.048

