# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_0915-2
_database_code_depnum_ccdc_archive 'CCDC 2189508'
loop_
_audit_author_name
_audit_author_address
'Bin Li'
;Wuyi University
China
;
_audit_update_record             
;
2022-07-12 deposited with the CCDC.	2023-02-24 downloaded from the CCDC.
;
_audit_creation_date             2021-11-10
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C22 H17 Cl N2 O2'
_chemical_formula_sum            'C22 H17 Cl N2 O2'
_chemical_formula_weight         376.82
_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 0.0033 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'
Cl Cl 0.1484 0.1585 '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'

_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                   12.3628(8)
_cell_length_b                   8.7568(5)
_cell_length_c                   17.4770(12)
_cell_angle_alpha                90
_cell_angle_beta                 109.330(7)
_cell_angle_gamma                90
_cell_volume                     1785.4(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3620
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      28.2580
_cell_measurement_theta_min      2.6330
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.234
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83436
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.402
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             784
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0227
_diffrn_reflns_av_unetI/netI     0.0318
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            7149
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        24.992
_diffrn_reflns_theta_max         24.992
_diffrn_reflns_theta_min         2.470
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2684
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -13.00  82.00   1.00    1.61    --   12.05  77.00 -60.00   95
  2  ω    -50.00  37.00   1.00    1.61    --   12.05 -77.00-180.00   87
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0357712000
_diffrn_orient_matrix_UB_12      -0.0288562000
_diffrn_orient_matrix_UB_13      0.0378605000
_diffrn_orient_matrix_UB_21      0.0400005000
_diffrn_orient_matrix_UB_22      0.0593261000
_diffrn_orient_matrix_UB_23      0.0022879000
_diffrn_orient_matrix_UB_31      -0.0285198000
_diffrn_orient_matrix_UB_32      0.0470402000
_diffrn_orient_matrix_UB_33      0.0203102000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2628
_reflns_number_total             3149
_reflns_odcompleteness_completeness 99.92
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_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         0.181
_refine_diff_density_min         -0.325
_refine_diff_density_rms         0.065
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     244
_refine_ls_number_reflns         3149
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0474
_refine_ls_R_factor_gt           0.0387
_refine_ls_restrained_S_all      1.101
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0378P)²+0.4095P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0875
_refine_ls_wR_factor_ref         0.0930
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C16(H16A,H16B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C10(H10), C11(H11), C12(H12), C13(H13),
 C18(H18), C19(H19), C20(H20), C21(H21), C22(H22)
;
_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
Cl1 Cl -0.35012(4) 0.96748(6) 0.68831(3) 0.04411(17) Uani 1 1 d . . . . .
O1 O -0.03164(10) 0.90728(13) 0.57766(8) 0.0350(3) Uani 1 1 d . . . . .
O2 O 0.16735(11) 0.47036(14) 0.58017(8) 0.0381(3) Uani 1 1 d . . . . .
N1 N -0.09328(11) 0.69184(15) 0.62296(8) 0.0247(3) Uani 1 1 d . . . . .
N2 N 0.06817(11) 0.68938(15) 0.57896(8) 0.0229(3) Uani 1 1 d . . . . .
C1 C -0.29960(14) 0.76770(18) 0.58718(10) 0.0251(4) Uani 1 1 d . . . . .
C2 C -0.33029(15) 0.6764(2) 0.51854(10) 0.0317(4) Uani 1 1 d . . . . .
H2 H -0.272820 0.621412 0.505096 0.038 Uiso 1 1 calc R U . . .
C3 C -0.44378(17) 0.6643(2) 0.46924(11) 0.0404(5) Uani 1 1 d . . . . .
H3 H -0.463730 0.600099 0.422837 0.048 Uiso 1 1 calc R U . . .
C4 C -0.52777(16) 0.7454(2) 0.48746(13) 0.0449(5) Uani 1 1 d . . . . .
H4 H -0.605494 0.736777 0.453631 0.054 Uiso 1 1 calc R U . . .
C5 C -0.49905(15) 0.8389(2) 0.55473(13) 0.0395(5) Uani 1 1 d . . . . .
H5 H -0.556372 0.895873 0.567303 0.047 Uiso 1 1 calc R U . . .
C6 C -0.38638(14) 0.84834(19) 0.60321(11) 0.0290(4) Uani 1 1 d . . . . .
C7 C -0.17851(13) 0.7821(2) 0.64456(11) 0.0296(4) Uani 1 1 d . . . . .
H7A H -0.155814 0.890963 0.647448 0.036 Uiso 1 1 calc R U . . .
H7B H -0.177034 0.751107 0.699372 0.036 Uiso 1 1 calc R U . . .
C8 C -0.08081(14) 0.53585(18) 0.64048(9) 0.0239(4) Uani 1 1 d . . . . .
C9 C 0.00806(13) 0.45610(18) 0.62615(9) 0.0225(4) Uani 1 1 d . . . . .
C10 C 0.02207(15) 0.3004(2) 0.64330(10) 0.0294(4) Uani 1 1 d . . . . .
H10 H 0.082858 0.246529 0.633471 0.035 Uiso 1 1 calc R U . . .
C11 C -0.05125(16) 0.2246(2) 0.67424(10) 0.0341(4) Uani 1 1 d . . . . .
H11 H -0.041629 0.118407 0.685675 0.041 Uiso 1 1 calc R U . . .
C12 C -0.13935(16) 0.3039(2) 0.68868(11) 0.0361(5) Uani 1 1 d . . . . .
H12 H -0.189924 0.251392 0.710358 0.043 Uiso 1 1 calc R U . . .
C13 C -0.15495(15) 0.4578(2) 0.67212(11) 0.0318(4) Uani 1 1 d . . . . .
H13 H -0.215984 0.510662 0.682215 0.038 Uiso 1 1 calc R U . . .
C14 C -0.02070(13) 0.77143(19) 0.59229(9) 0.0246(4) Uani 1 1 d . . . . .
C15 C 0.08795(14) 0.53433(19) 0.59375(10) 0.0247(4) Uani 1 1 d . . . . .
C16 C 0.14685(14) 0.7787(2) 0.54802(10) 0.0278(4) Uani 1 1 d . . . . .
H16A H 0.101756 0.852462 0.506830 0.033 Uiso 1 1 calc R U . . .
H16B H 0.186285 0.708791 0.521365 0.033 Uiso 1 1 calc R U . . .
C17 C 0.23514(13) 0.86417(19) 0.61506(10) 0.0248(4) Uani 1 1 d . . . . .
C18 C 0.23901(14) 1.0224(2) 0.61398(11) 0.0308(4) Uani 1 1 d . . . . .
H18 H 0.186616 1.076816 0.570271 0.037 Uiso 1 1 calc R U . . .
C19 C 0.31859(15) 1.1021(2) 0.67604(12) 0.0370(5) Uani 1 1 d . . . . .
H19 H 0.320529 1.210539 0.674615 0.044 Uiso 1 1 calc R U . . .
C20 C 0.39502(15) 1.0240(2) 0.73992(11) 0.0365(5) Uani 1 1 d . . . . .
H20 H 0.448496 1.078397 0.783061 0.044 Uiso 1 1 calc R U . . .
C21 C 0.39323(15) 0.8662(2) 0.74070(11) 0.0359(5) Uani 1 1 d . . . . .
H21 H 0.446441 0.812027 0.784094 0.043 Uiso 1 1 calc R U . . .
C22 C 0.31424(14) 0.7867(2) 0.67852(10) 0.0295(4) Uani 1 1 d . . . . .
H22 H 0.314148 0.678216 0.679262 0.035 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 C6 1.7492(18) . ?
O1 C14 1.215(2) . ?
O2 C15 1.2198(19) . ?
N1 C7 1.463(2) . ?
N1 C8 1.397(2) . ?
N1 C14 1.377(2) . ?
N2 C14 1.395(2) . ?
N2 C15 1.389(2) . ?
N2 C16 1.483(2) . ?
C1 C2 1.386(2) . ?
C1 C6 1.388(2) . ?
C1 C7 1.506(2) . ?
C2 H2 0.9500 . ?
C2 C3 1.386(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.379(3) . ?
C4 H4 0.9500 . ?
C4 C5 1.379(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.373(3) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.393(2) . ?
C8 C13 1.396(2) . ?
C9 C10 1.394(2) . ?
C9 C15 1.461(2) . ?
C10 H10 0.9500 . ?
C10 C11 1.371(3) . ?
C11 H11 0.9500 . ?
C11 C12 1.384(3) . ?
C12 H12 0.9500 . ?
C12 C13 1.379(3) . ?
C13 H13 0.9500 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C17 1.509(2) . ?
C17 C18 1.387(2) . ?
C17 C22 1.389(2) . ?
C18 H18 0.9500 . ?
C18 C19 1.388(3) . ?
C19 H19 0.9500 . ?
C19 C20 1.382(3) . ?
C20 H20 0.9500 . ?
C20 C21 1.382(3) . ?
C21 H21 0.9500 . ?
C21 C22 1.384(2) . ?
C22 H22 0.9500 . ?

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
C8 N1 C7 120.55(14) . . ?
C14 N1 C7 116.39(14) . . ?
C14 N1 C8 122.77(14) . . ?
C14 N2 C16 115.91(14) . . ?
C15 N2 C14 124.91(14) . . ?
C15 N2 C16 119.17(14) . . ?
C2 C1 C6 117.37(15) . . ?
C2 C1 C7 123.48(15) . . ?
C6 C1 C7 119.15(15) . . ?
C1 C2 H2 119.6 . . ?
C1 C2 C3 120.85(17) . . ?
C3 C2 H2 119.6 . . ?
C2 C3 H3 119.9 . . ?
C4 C3 C2 120.11(18) . . ?
C4 C3 H3 119.9 . . ?
C3 C4 H4 120.0 . . ?
C3 C4 C5 120.09(17) . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 120.5 . . ?
C6 C5 C4 118.96(18) . . ?
C6 C5 H5 120.5 . . ?
C1 C6 Cl1 118.51(13) . . ?
C5 C6 Cl1 118.88(14) . . ?
C5 C6 C1 122.61(17) . . ?
N1 C7 C1 115.13(14) . . ?
N1 C7 H7A 108.5 . . ?
N1 C7 H7B 108.5 . . ?
C1 C7 H7A 108.5 . . ?
C1 C7 H7B 108.5 . . ?
H7A C7 H7B 107.5 . . ?
C9 C8 N1 119.15(15) . . ?
C9 C8 C13 119.11(16) . . ?
C13 C8 N1 121.74(15) . . ?
C8 C9 C10 120.05(16) . . ?
C8 C9 C15 120.61(15) . . ?
C10 C9 C15 119.33(15) . . ?
C9 C10 H10 119.8 . . ?
C11 C10 C9 120.48(17) . . ?
C11 C10 H10 119.8 . . ?
C10 C11 H11 120.3 . . ?
C10 C11 C12 119.46(17) . . ?
C12 C11 H11 120.3 . . ?
C11 C12 H12 119.5 . . ?
C13 C12 C11 121.08(18) . . ?
C13 C12 H12 119.5 . . ?
C8 C13 H13 120.1 . . ?
C12 C13 C8 119.80(17) . . ?
C12 C13 H13 120.1 . . ?
O1 C14 N1 122.41(15) . . ?
O1 C14 N2 120.53(15) . . ?
N1 C14 N2 117.06(14) . . ?
O2 C15 N2 121.09(16) . . ?
O2 C15 C9 123.41(16) . . ?
N2 C15 C9 115.50(14) . . ?
N2 C16 H16A 109.3 . . ?
N2 C16 H16B 109.3 . . ?
N2 C16 C17 111.81(13) . . ?
H16A C16 H16B 107.9 . . ?
C17 C16 H16A 109.3 . . ?
C17 C16 H16B 109.3 . . ?
C18 C17 C16 120.27(15) . . ?
C18 C17 C22 118.73(16) . . ?
C22 C17 C16 121.00(16) . . ?
C17 C18 H18 119.6 . . ?
C17 C18 C19 120.72(16) . . ?
C19 C18 H18 119.6 . . ?
C18 C19 H19 120.0 . . ?
C20 C19 C18 120.04(18) . . ?
C20 C19 H19 120.0 . . ?
C19 C20 H20 120.2 . . ?
C19 C20 C21 119.62(17) . . ?
C21 C20 H20 120.2 . . ?
C20 C21 H21 119.9 . . ?
C20 C21 C22 120.29(17) . . ?
C22 C21 H21 119.9 . . ?
C17 C22 H22 119.7 . . ?
C21 C22 C17 120.57(17) . . ?
C21 C22 H22 119.7 . . ?

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
N1 C8 C9 C10 179.93(14) . . . . ?
N1 C8 C9 C15 0.4(2) . . . . ?
N1 C8 C13 C12 -179.87(15) . . . . ?
N2 C16 C17 C18 -117.85(17) . . . . ?
N2 C16 C17 C22 62.5(2) . . . . ?
C1 C2 C3 C4 1.0(3) . . . . ?
C2 C1 C6 Cl1 -178.79(13) . . . . ?
C2 C1 C6 C5 0.8(3) . . . . ?
C2 C1 C7 N1 0.0(2) . . . . ?
C2 C3 C4 C5 0.1(3) . . . . ?
C3 C4 C5 C6 -0.7(3) . . . . ?
C4 C5 C6 Cl1 179.80(14) . . . . ?
C4 C5 C6 C1 0.2(3) . . . . ?
C6 C1 C2 C3 -1.4(3) . . . . ?
C6 C1 C7 N1 179.48(15) . . . . ?
C7 N1 C8 C9 -174.01(14) . . . . ?
C7 N1 C8 C13 5.9(2) . . . . ?
C7 N1 C14 O1 -5.7(2) . . . . ?
C7 N1 C14 N2 173.82(13) . . . . ?
C7 C1 C2 C3 178.12(17) . . . . ?
C7 C1 C6 Cl1 1.7(2) . . . . ?
C7 C1 C6 C5 -178.71(17) . . . . ?
C8 N1 C7 C1 -79.75(19) . . . . ?
C8 N1 C14 O1 -179.54(15) . . . . ?
C8 N1 C14 N2 -0.1(2) . . . . ?
C8 C9 C10 C11 0.1(2) . . . . ?
C8 C9 C15 O2 179.86(15) . . . . ?
C8 C9 C15 N2 -0.1(2) . . . . ?
C9 C8 C13 C12 0.0(2) . . . . ?
C9 C10 C11 C12 -0.2(2) . . . . ?
C10 C9 C15 O2 0.4(2) . . . . ?
C10 C9 C15 N2 -179.56(14) . . . . ?
C10 C11 C12 C13 0.3(3) . . . . ?
C11 C12 C13 C8 -0.2(3) . . . . ?
C13 C8 C9 C10 0.0(2) . . . . ?
C13 C8 C9 C15 -179.45(14) . . . . ?
C14 N1 C7 C1 106.22(17) . . . . ?
C14 N1 C8 C9 -0.4(2) . . . . ?
C14 N1 C8 C13 179.51(15) . . . . ?
C14 N2 C15 O2 179.66(15) . . . . ?
C14 N2 C15 C9 -0.4(2) . . . . ?
C14 N2 C16 C17 80.34(17) . . . . ?
C15 N2 C14 O1 179.97(15) . . . . ?
C15 N2 C14 N1 0.5(2) . . . . ?
C15 N2 C16 C17 -98.63(17) . . . . ?
C15 C9 C10 C11 179.56(15) . . . . ?
C16 N2 C14 O1 1.1(2) . . . . ?
C16 N2 C14 N1 -178.42(13) . . . . ?
C16 N2 C15 O2 -1.5(2) . . . . ?
C16 N2 C15 C9 178.45(13) . . . . ?
C16 C17 C18 C19 178.90(16) . . . . ?
C16 C17 C22 C21 -178.53(16) . . . . ?
C17 C18 C19 C20 -0.1(3) . . . . ?
C18 C17 C22 C21 1.9(3) . . . . ?
C18 C19 C20 C21 1.3(3) . . . . ?
C19 C20 C21 C22 -1.0(3) . . . . ?
C20 C21 C22 C17 -0.6(3) . . . . ?
C22 C17 C18 C19 -1.5(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.266
_oxdiff_exptl_absorpt_empirical_full_min 0.837
