# Supplementary Information (SI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_rus-197
_database_code_depnum_ccdc_archive 'CCDC 2419386'
loop_
_audit_author_name
_audit_author_address
'Kirill Erokhin'
;Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences
Russia
;
_audit_update_record             
;
2025-01-24 deposited with the CCDC.	2025-02-06 downloaded from the CCDC.
;
_audit_creation_date             2024-04-10
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C15 H12 N2'
_chemical_formula_sum            'C15 H12 N2'
_chemical_formula_weight         220.27
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C15 H12 N2'
_chemical_oxdiff_usercomment     RUS-197
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'
N N 0.0311 0.0180 '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                   5.55130(10)
_cell_length_b                   9.08050(10)
_cell_length_c                   22.6176(3)
_cell_angle_alpha                90
_cell_angle_beta                 93.8320(10)
_cell_angle_gamma                90
_cell_volume                     1137.57(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9439
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      79.0750
_cell_measurement_theta_min      3.9280
_shelx_estimated_absorpt_T_max   0.976
_shelx_estimated_absorpt_T_min   0.836
_exptl_absorpt_coefficient_mu    0.599
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.512
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.117a (Rigaku Oxford Diffraction, 2024)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.286
_exptl_crystal_density_meas      none
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             464
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1 0 0 0.0513
1 -2 1 0.0672
0 2 -1 0.2036
1 -2 -1 0.0712
1 1 -2 0.0939
0 -1 0 0.0997
0 0 -1 0.0286
0 0 1 0.0116

_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.04
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-0.9989 -0.0003 -0.0033 -0.2683 -0.0639 0.0337
0.9981 -1.9988 1.0012 0.3119 0.0809 0.3090
0.0008 1.9992 -0.9978 -0.0436 -0.0170 -0.3427
0.9985 -1.9978 -0.9983 0.3313 -0.0522 0.2859
0.9996 1.0007 -1.9952 0.2610 -0.0445 -0.2224
-0.0003 -0.9993 -0.0009 0.0266 -0.0248 0.1656
0.0002 0.0005 -0.9997 0.0097 -0.0666 -0.0116
-0.0002 -0.0005 0.9997 -0.0097 0.0666 0.0116

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0266
_diffrn_reflns_av_unetI/netI     0.0198
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            13169
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         79.783
_diffrn_reflns_theta_min         3.918
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -122.00 -30.00   0.50    0.60    --  -46.59 -16.00  53.00  184
  2  ω   -122.00 -30.00   0.50    0.60    --  -46.59 -16.00  53.00  184
  3  ω     30.00 122.00   0.50    0.60    --   46.59  16.00-137.00  184
  4  ω    -28.00  25.00   0.50    0.60    --   46.59 -16.00  53.00  106
  5  ω   -167.00 -75.00   0.50    2.40    --  -91.75 -16.00  53.00  184
  6  ω     96.00 178.00   0.50    2.40    --  113.25  16.00-137.00  164
  7  ω    -25.00  30.00   0.50    0.60    --  -46.59  16.00-137.00  110
  8  ω     34.00  93.00   0.50    0.60    --   46.59-125.00-120.00  118
  9  ω    -29.00  27.00   0.50    0.60    --   46.59 -19.00 -60.00  112
 10  ω    -85.00 -27.00   0.50    2.40    --  -91.75 125.00 -90.00  116
 11  ω    -51.00 -23.00   0.50    2.40    --  -91.75  45.00-150.00   56
 12  ω     44.00  69.00   0.50    2.40    --  113.25 -61.00-180.00   50
 13  ω     41.00 106.00   0.50    2.40    --  113.25 -95.00 -90.00  130
 14  ω     66.00  96.00   0.50    2.40    --  113.25 -77.00 -30.00   60
 15  ω     69.00 102.00   0.50    2.40    --  113.25 -95.00 -30.00   66
 16  ω    142.00 168.00   0.50    2.40    --  113.25  15.00 120.00   52
 17  ω     77.00 110.00   0.50    2.40    --  113.25-125.00  30.00   66
 18  ω     43.00  70.00   0.50    2.40    --  113.25 -61.00 -30.00   54
 19  ω     55.00 103.00   0.50    2.40    --  113.25 -87.00-141.53   96
 20  ω    110.00 141.00   0.50    2.40    --  113.25 -87.00-141.53   62
 21  ω     43.00  70.00   0.50    2.40    --  113.25 -61.00-150.00   54
 22  ω     95.00 128.00   0.50    2.40    --  113.25 125.00 -90.00   66
 23  ω     44.00  95.00   0.50    2.40    --  113.25 -95.00 -60.00  102
 24  ω    111.00 138.00   0.50    2.40    --  113.25  15.00 120.00   54
 25  ω    140.00 177.00   0.50    2.40    --  113.25 125.00 -90.00   74
 26  ω     56.00  98.00   0.50    2.40    --  113.25 -77.00-120.00   84
 27  ω     55.00  82.00   0.50    2.40    --  113.25 -77.00-180.00   54
 28  ω     43.00  69.00   0.50    2.40    --  113.25-125.00  30.00   52
 29  ω     96.00 177.00   0.50    2.40    --  113.25  15.00 -90.00  162
 30  ω    102.00 128.00   0.50    2.40    --  113.25  45.00-120.00   52
 31  ω     97.00 127.00   0.50    2.40    --  113.25 125.00-150.00   60
 32  ω    101.00 130.00   0.50    2.40    --  113.25  30.00 150.00   58
 33  ω     42.00 103.00   0.50    2.40    --  113.25 -77.00  90.00  122
 34  ω     48.00  74.00   0.50    2.40    --  113.25 -95.00  90.00   52
 35  ω     81.00 106.00   0.50    2.40    --  113.25 -95.00  90.00   50
 36  ω     76.00 101.00   0.50    2.40    --  113.25 -95.00   0.00   50
 37  ω    106.00 168.00   0.50    2.40    --  113.25  45.00-180.00  124
 38  ω    122.00 168.00   0.50    2.40    --  113.25  61.00 -60.00   92
 39  ω    111.00 137.00   0.50    2.40    --  113.25  61.00 -90.00   52
 40  ω     85.00 111.00   0.50    2.40    --  113.25 -81.00 -89.37   52
 41  ω    118.00 146.00   0.50    2.40    --  113.25  30.00 -60.00   56
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.2686652000
_diffrn_orient_matrix_UB_12      -0.0267226000
_diffrn_orient_matrix_UB_13      -0.0096255000
_diffrn_orient_matrix_UB_21      0.0637204000
_diffrn_orient_matrix_UB_22      0.0247163000
_diffrn_orient_matrix_UB_23      0.0666011000
_diffrn_orient_matrix_UB_31      -0.0337303000
_diffrn_orient_matrix_UB_32      -0.1656861000
_diffrn_orient_matrix_UB_33      0.0114799000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2305
_reflns_number_total             2471
_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 1.171.43.117a (Rigaku OD, 2024)'
_computing_data_collection       
'CrysAlisPro system (CCD 43.109a 64-bit (release 21-02-2024))'
_computing_data_reduction        'CrysAlisPro 1.171.43.117a (Rigaku OD, 2024)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.391
_refine_diff_density_min         -0.253
_refine_diff_density_rms         0.042
_refine_ls_extinction_coef       0.0020(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     155
_refine_ls_number_reflns         2471
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0420
_refine_ls_R_factor_gt           0.0397
_refine_ls_restrained_S_all      1.030
_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)+(0.0578P)²+0.4766P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1100
_refine_ls_wR_factor_ref         0.1123
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger.
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C5(H5), C8(H8), C9(H9), C11(H11), C12(H12),
 C13(H13), C14(H14), C15(H15)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
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
N1 N 0.38239(18) 0.50841(11) 0.72777(4) 0.0255(2) Uani 1 1 d . . . . .
N2 N 0.34442(18) 0.59947(11) 0.68058(4) 0.0236(2) Uani 1 1 d . . . . .
C1 C 0.3251(2) 0.72447(13) 0.56556(5) 0.0245(3) Uani 1 1 d . . . . .
H1 H 0.195246 0.742311 0.589925 0.029 Uiso 1 1 calc R U . . .
C2 C 0.3301(2) 0.79452(14) 0.51109(5) 0.0276(3) Uani 1 1 d . . . . .
H2 H 0.204366 0.860775 0.498570 0.033 Uiso 1 1 calc R U . . .
C3 C 0.5178(2) 0.76833(14) 0.47475(5) 0.0277(3) Uani 1 1 d . . . . .
H3 H 0.519750 0.815265 0.437247 0.033 Uiso 1 1 calc R U . . .
C4 C 0.7023(2) 0.67299(14) 0.49379(5) 0.0280(3) Uani 1 1 d . . . . .
H4 H 0.831256 0.654952 0.469179 0.034 Uiso 1 1 calc R U . . .
C5 C 0.7002(2) 0.60374(13) 0.54844(5) 0.0262(3) Uani 1 1 d . . . . .
H5 H 0.828566 0.539674 0.561263 0.031 Uiso 1 1 calc R U . . .
C6 C 0.5098(2) 0.62803(13) 0.58468(5) 0.0226(3) Uani 1 1 d . . . . .
C7 C 0.5021(2) 0.55447(12) 0.64151(5) 0.0205(2) Uani 1 1 d . . . . .
C8 C 0.6393(2) 0.43529(14) 0.66404(5) 0.0269(3) Uani 1 1 d . . . . .
H8 H 0.761776 0.384096 0.645010 0.032 Uiso 1 1 calc R U . . .
C9 C 0.5612(2) 0.40758(13) 0.71893(5) 0.0259(3) Uani 1 1 d . . . . .
H9 H 0.619193 0.333171 0.745777 0.031 Uiso 1 1 calc R U . . .
C10 C 0.2419(2) 0.52462(13) 0.77847(5) 0.0228(3) Uani 1 1 d . . . . .
C11 C 0.3116(2) 0.45049(13) 0.83074(5) 0.0263(3) Uani 1 1 d . . . . .
H11 H 0.451209 0.389722 0.832735 0.032 Uiso 1 1 calc R U . . .
C12 C 0.1769(2) 0.46546(14) 0.87987(5) 0.0277(3) Uani 1 1 d . . . . .
H12 H 0.224001 0.414328 0.915425 0.033 Uiso 1 1 calc R U . . .
C13 C -0.0268(2) 0.55504(14) 0.87731(6) 0.0272(3) Uani 1 1 d . . . . .
H13 H -0.118723 0.565317 0.911017 0.033 Uiso 1 1 calc R U . . .
C14 C -0.0949(2) 0.62932(14) 0.82521(6) 0.0277(3) Uani 1 1 d . . . . .
H14 H -0.233506 0.690953 0.823478 0.033 Uiso 1 1 calc R U . . .
C15 C 0.0376(2) 0.61437(13) 0.77559(5) 0.0256(3) Uani 1 1 d . . . . .
H15 H -0.010593 0.664893 0.739960 0.031 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
N1 N2 1.3555(14) . ?
N1 C9 1.3750(16) . ?
N1 C10 1.4368(15) . ?
N2 C7 1.3482(14) . ?
C1 H1 0.9500 . ?
C1 C2 1.3884(17) . ?
C1 C6 1.3950(17) . ?
C2 H2 0.9500 . ?
C2 C3 1.3903(17) . ?
C3 H3 0.9500 . ?
C3 C4 1.3874(19) . ?
C4 H4 0.9500 . ?
C4 C5 1.3875(17) . ?
C5 H5 0.9500 . ?
C5 C6 1.3979(16) . ?
C6 C7 1.4518(16) . ?
C7 C8 1.3996(16) . ?
C8 H8 0.9500 . ?
C8 C9 1.3656(17) . ?
C9 H9 0.9500 . ?
C10 C11 1.3925(17) . ?
C10 C15 1.3947(17) . ?
C11 H11 0.9500 . ?
C11 C12 1.3868(17) . ?
C12 H12 0.9500 . ?
C12 C13 1.3911(18) . ?
C13 H13 0.9500 . ?
C13 C14 1.3881(18) . ?
C14 H14 0.9500 . ?
C14 C15 1.3891(17) . ?
C15 H15 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
N2 N1 C9 111.56(10) . . ?
N2 N1 C10 120.12(10) . . ?
C9 N1 C10 128.31(10) . . ?
C7 N2 N1 104.93(9) . . ?
C2 C1 H1 119.8 . . ?
C2 C1 C6 120.33(11) . . ?
C6 C1 H1 119.8 . . ?
C1 C2 H2 119.8 . . ?
C1 C2 C3 120.42(12) . . ?
C3 C2 H2 119.8 . . ?
C2 C3 H3 120.3 . . ?
C4 C3 C2 119.36(11) . . ?
C4 C3 H3 120.3 . . ?
C3 C4 H4 119.7 . . ?
C3 C4 C5 120.63(11) . . ?
C5 C4 H4 119.7 . . ?
C4 C5 H5 119.9 . . ?
C4 C5 C6 120.16(11) . . ?
C6 C5 H5 119.9 . . ?
C1 C6 C5 119.10(11) . . ?
C1 C6 C7 119.94(10) . . ?
C5 C6 C7 120.97(11) . . ?
N2 C7 C6 119.97(10) . . ?
N2 C7 C8 110.93(10) . . ?
C8 C7 C6 129.10(11) . . ?
C7 C8 H8 127.0 . . ?
C9 C8 C7 105.98(11) . . ?
C9 C8 H8 127.0 . . ?
N1 C9 H9 126.7 . . ?
C8 C9 N1 106.60(11) . . ?
C8 C9 H9 126.7 . . ?
C11 C10 N1 119.55(11) . . ?
C11 C10 C15 120.08(11) . . ?
C15 C10 N1 120.37(11) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 C10 119.92(11) . . ?
C12 C11 H11 120.0 . . ?
C11 C12 H12 119.9 . . ?
C11 C12 C13 120.28(11) . . ?
C13 C12 H12 119.9 . . ?
C12 C13 H13 120.2 . . ?
C14 C13 C12 119.61(11) . . ?
C14 C13 H13 120.2 . . ?
C13 C14 H14 119.7 . . ?
C13 C14 C15 120.62(11) . . ?
C15 C14 H14 119.7 . . ?
C10 C15 H15 120.3 . . ?
C14 C15 C10 119.49(11) . . ?
C14 C15 H15 120.3 . . ?

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 N2 C7 C6 179.43(9) . . . . ?
N1 N2 C7 C8 -0.01(13) . . . . ?
N1 C10 C11 C12 -179.96(11) . . . . ?
N1 C10 C15 C14 -179.60(10) . . . . ?
N2 N1 C9 C8 -0.19(14) . . . . ?
N2 N1 C10 C11 -167.86(10) . . . . ?
N2 N1 C10 C15 11.89(16) . . . . ?
N2 C7 C8 C9 -0.10(14) . . . . ?
C1 C2 C3 C4 -0.91(19) . . . . ?
C1 C6 C7 N2 -12.69(16) . . . . ?
C1 C6 C7 C8 166.65(12) . . . . ?
C2 C1 C6 C5 0.40(17) . . . . ?
C2 C1 C6 C7 -179.56(11) . . . . ?
C2 C3 C4 C5 0.19(18) . . . . ?
C3 C4 C5 C6 0.83(18) . . . . ?
C4 C5 C6 C1 -1.11(17) . . . . ?
C4 C5 C6 C7 178.85(10) . . . . ?
C5 C6 C7 N2 167.35(11) . . . . ?
C5 C6 C7 C8 -13.31(18) . . . . ?
C6 C1 C2 C3 0.61(18) . . . . ?
C6 C7 C8 C9 -179.48(11) . . . . ?
C7 C8 C9 N1 0.17(13) . . . . ?
C9 N1 N2 C7 0.12(13) . . . . ?
C9 N1 C10 C11 12.41(18) . . . . ?
C9 N1 C10 C15 -167.84(11) . . . . ?
C10 N1 N2 C7 -179.65(10) . . . . ?
C10 N1 C9 C8 179.56(11) . . . . ?
C10 C11 C12 C13 -0.41(19) . . . . ?
C11 C10 C15 C14 0.15(18) . . . . ?
C11 C12 C13 C14 0.10(19) . . . . ?
C12 C13 C14 C15 0.35(19) . . . . ?
C13 C14 C15 C10 -0.47(18) . . . . ?
C15 C10 C11 C12 0.29(18) . . . . ?

_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 1.235
_oxdiff_exptl_absorpt_empirical_full_min 0.850
