# Supplementary Information (SI) for RSC Sustainability.
# 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_zsz-0227-100k_auto
_database_code_depnum_ccdc_archive 'CCDC 2247110'
loop_
_audit_author_name
_audit_author_address
'shangzhong zhang'
;University of Science and Technology of China
China
;
_audit_update_record             
;
2023-03-08 deposited with the CCDC.	2025-05-01 downloaded from the CCDC.
;
_audit_creation_date             2023-03-07
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C5 H8 N O2, C9 H17 N2'
_chemical_formula_sum            'C14 H25 N3 O2'
_chemical_formula_weight         267.37
_chemical_melting_point          ?
_chemical_oxdiff_formula         C1H1N1O2
_chemical_oxdiff_usercomment     \
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'
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/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   7.07237(17)
_cell_length_b                   8.3828(2)
_cell_length_c                   23.2450(6)
_cell_angle_alpha                90
_cell_angle_beta                 90.984(2)
_cell_angle_gamma                90
_cell_volume                     1377.90(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3728
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      73.1140
_cell_measurement_theta_min      6.5200
_shelx_estimated_absorpt_T_max   0.903
_shelx_estimated_absorpt_T_min   0.873
_exptl_absorpt_coefficient_mu    0.697
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.66548
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.110a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.289
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             584
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0204
_diffrn_reflns_av_unetI/netI     0.0234
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.966
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            5373
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.082
_diffrn_reflns_theta_min         3.804
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2169
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -59.00  -6.00   1.00    4.00    --  -41.76 125.00 -60.00   53
  2  ω   -115.00 -18.00   1.00    4.00    --  -41.76 -57.00-120.00   97
  3  ω    -11.00  27.00   1.00    4.00    --  -41.76  57.00 120.00   38
  4  ω     45.00  82.00   1.00    4.00    --   41.76 -99.00  60.00   37
  5  ω     35.00 111.00   1.00    8.00    --  106.05-125.00  60.00   76
  6  ω     34.00 100.00   1.00    8.00    --  106.05-125.00 -90.00   66
  7  ω    148.00 175.00   1.00    8.00    --  106.05  77.00 -90.00   27
  8  ω     73.00 133.00   1.00    8.00    --  106.05 -61.00   0.00   60
  9  ω     25.00 105.00   1.00    8.00    --  106.05 -94.00 -90.00   80
 10  ω    132.00 158.00   1.00    8.00    --  106.05  77.00-150.00   26
 11  ω     24.00 127.00   1.00    8.00    --  106.05   0.00-120.00  103
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0986979000
_diffrn_orient_matrix_UB_12      0.0930738000
_diffrn_orient_matrix_UB_13      -0.0481072000
_diffrn_orient_matrix_UB_21      0.0775090000
_diffrn_orient_matrix_UB_22      -0.1575241000
_diffrn_orient_matrix_UB_23      -0.0242830000
_diffrn_orient_matrix_UB_31      -0.1780567000
_diffrn_orient_matrix_UB_32      -0.0170315000
_diffrn_orient_matrix_UB_33      -0.0386206000
_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              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2487
_reflns_number_total             2676
_reflns_odcompleteness_completeness 99.77
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2013/4 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.346
_refine_diff_density_min         -0.234
_refine_diff_density_rms         0.048
_refine_ls_extinction_coef       0.0020(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     173
_refine_ls_number_reflns         2676
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0401
_refine_ls_R_factor_gt           0.0379
_refine_ls_restrained_S_all      1.060
_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)+(0.0533P)²+0.5448P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0987
_refine_ls_wR_factor_ref         0.1007
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1.a Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B), C10(H10A,H10B), C6(H6A,H6B), C2(H2A,H2B), C14(H14A,H14B),
 C4(H4A,H4B), C7(H7A,H7B), C1(H1A,H1B), C12(H12A,H12B), C3(H3A,H3B), C11(H11A,
 H11B), C8(H8A,H8B)
1.b Aromatic/amide H refined with riding coordinates:
 N2(H2)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
O1 O 0.24355(11) 0.44103(10) 0.62522(4) 0.0166(2) Uani 1 1 d . . . . .
O2 O 0.27140(12) 0.28020(10) 0.54793(4) 0.0168(2) Uani 1 1 d . . . . .
N3 N 0.28002(13) 0.64062(11) 0.39184(4) 0.0116(2) Uani 1 1 d . . . . .
N1 N 0.27734(14) 0.17370(12) 0.63693(4) 0.0145(2) Uani 1 1 d . . . . .
N2 N 0.25059(13) 0.54760(12) 0.48504(4) 0.0129(2) Uani 1 1 d . . . . .
H2 H 0.2634 0.4675 0.5093 0.016 Uiso 1 1 calc R U . . .
C9 C 0.29474(15) 0.52544(13) 0.43104(5) 0.0111(2) Uani 1 1 d . . . . .
C13 C 0.17134(16) 0.49494(14) 0.30250(5) 0.0138(2) Uani 1 1 d . . . . .
H13A H 0.0441 0.5155 0.3180 0.017 Uiso 1 1 calc R U . . .
H13B H 0.1654 0.5154 0.2606 0.017 Uiso 1 1 calc R U . . .
C10 C 0.36284(16) 0.36283(14) 0.41397(5) 0.0134(2) Uani 1 1 d . . . . .
H10A H 0.3891 0.2997 0.4492 0.016 Uiso 1 1 calc R U . . .
H10B H 0.4831 0.3742 0.3932 0.016 Uiso 1 1 calc R U . . .
C6 C 0.18094(16) 0.70019(14) 0.50651(5) 0.0143(3) Uani 1 1 d . . . . .
H6A H 0.2163 0.7126 0.5477 0.017 Uiso 1 1 calc R U . . .
H6B H 0.0413 0.7040 0.5029 0.017 Uiso 1 1 calc R U . . .
C2 C 0.16224(17) 0.01124(14) 0.71072(5) 0.0168(3) Uani 1 1 d . . . . .
H2A H 0.0244 0.0028 0.7031 0.020 Uiso 1 1 calc R U . . .
H2B H 0.1900 -0.0196 0.7511 0.020 Uiso 1 1 calc R U . . .
C5 C 0.26216(15) 0.30728(14) 0.60178(5) 0.0125(2) Uani 1 1 d . . . . .
C14 C 0.31196(16) 0.61121(14) 0.33041(5) 0.0134(2) Uani 1 1 d . . . . .
H14A H 0.4414 0.5686 0.3259 0.016 Uiso 1 1 calc R U . . .
H14B H 0.3048 0.7141 0.3096 0.016 Uiso 1 1 calc R U . . .
C4 C 0.27363(16) 0.01108(14) 0.61428(5) 0.0139(2) Uani 1 1 d . . . . .
H4A H 0.3864 -0.0108 0.5909 0.017 Uiso 1 1 calc R U . . .
H4B H 0.1584 -0.0079 0.5905 0.017 Uiso 1 1 calc R U . . .
C7 C 0.26758(16) 0.83395(14) 0.47157(5) 0.0146(3) Uani 1 1 d . . . . .
H7A H 0.2128 0.9376 0.4831 0.017 Uiso 1 1 calc R U . . .
H7B H 0.4058 0.8380 0.4789 0.017 Uiso 1 1 calc R U . . .
C1 C 0.23394(17) 0.17854(14) 0.69810(5) 0.0141(3) Uani 1 1 d . . . . .
H1A H 0.1357 0.2594 0.7059 0.017 Uiso 1 1 calc R U . . .
H1B H 0.3484 0.2032 0.7215 0.017 Uiso 1 1 calc R U . . .
C12 C 0.22163(17) 0.32037(14) 0.31254(5) 0.0145(3) Uani 1 1 d . . . . .
H12A H 0.1304 0.2529 0.2908 0.017 Uiso 1 1 calc R U . . .
H12B H 0.3488 0.2999 0.2970 0.017 Uiso 1 1 calc R U . . .
C3 C 0.27378(17) -0.09157(14) 0.66867(5) 0.0163(3) Uani 1 1 d . . . . .
H3A H 0.4041 -0.1111 0.6832 0.020 Uiso 1 1 calc R U . . .
H3B H 0.2103 -0.1952 0.6616 0.020 Uiso 1 1 calc R U . . .
C11 C 0.22075(17) 0.27096(14) 0.37558(5) 0.0158(3) Uani 1 1 d . . . . .
H11A H 0.2496 0.1556 0.3782 0.019 Uiso 1 1 calc R U . . .
H11B H 0.0921 0.2873 0.3906 0.019 Uiso 1 1 calc R U . . .
C8 C 0.22727(16) 0.80390(13) 0.40807(5) 0.0141(3) Uani 1 1 d . . . . .
H8A H 0.0910 0.8207 0.3997 0.017 Uiso 1 1 calc R U . . .
H8B H 0.2994 0.8810 0.3848 0.017 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
O1 C5 1.2545(15) . ?
O2 C5 1.2750(15) . ?
N3 C9 1.3305(15) . ?
N3 C14 1.4702(14) . ?
N3 C8 1.4696(14) . ?
N1 C5 1.3893(15) . ?
N1 C4 1.4614(15) . ?
N1 C1 1.4602(15) . ?
N2 H2 0.8800 . ?
N2 C9 1.3119(15) . ?
N2 C6 1.4616(15) . ?
C9 C10 1.5014(15) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.5290(16) . ?
C13 C12 1.5230(16) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C11 1.5390(16) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 C7 1.5196(16) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C1 1.5216(16) . ?
C2 C3 1.5319(16) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 C3 1.5294(16) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C8 1.5196(16) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 C11 1.5229(16) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?

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
C9 N3 C14 122.14(10) . . ?
C9 N3 C8 121.15(10) . . ?
C8 N3 C14 116.71(9) . . ?
C5 N1 C4 122.63(10) . . ?
C5 N1 C1 122.33(10) . . ?
C1 N1 C4 111.96(9) . . ?
C9 N2 H2 118.7 . . ?
C9 N2 C6 122.53(10) . . ?
C6 N2 H2 118.7 . . ?
N3 C9 C10 119.97(10) . . ?
N2 C9 N3 122.38(11) . . ?
N2 C9 C10 117.65(10) . . ?
H13A C13 H13B 107.7 . . ?
C14 C13 H13A 108.9 . . ?
C14 C13 H13B 108.9 . . ?
C12 C13 H13A 108.9 . . ?
C12 C13 H13B 108.9 . . ?
C12 C13 C14 113.51(9) . . ?
C9 C10 H10A 108.9 . . ?
C9 C10 H10B 108.9 . . ?
C9 C10 C11 113.47(9) . . ?
H10A C10 H10B 107.7 . . ?
C11 C10 H10A 108.9 . . ?
C11 C10 H10B 108.9 . . ?
N2 C6 H6A 109.9 . . ?
N2 C6 H6B 109.9 . . ?
N2 C6 C7 108.78(9) . . ?
H6A C6 H6B 108.3 . . ?
C7 C6 H6A 109.9 . . ?
C7 C6 H6B 109.9 . . ?
H2A C2 H2B 109.2 . . ?
C1 C2 H2A 111.2 . . ?
C1 C2 H2B 111.2 . . ?
C1 C2 C3 102.63(9) . . ?
C3 C2 H2A 111.2 . . ?
C3 C2 H2B 111.2 . . ?
O1 C5 O2 126.37(11) . . ?
O1 C5 N1 118.21(10) . . ?
O2 C5 N1 115.42(10) . . ?
N3 C14 C13 114.16(9) . . ?
N3 C14 H14A 108.7 . . ?
N3 C14 H14B 108.7 . . ?
C13 C14 H14A 108.7 . . ?
C13 C14 H14B 108.7 . . ?
H14A C14 H14B 107.6 . . ?
N1 C4 H4A 111.1 . . ?
N1 C4 H4B 111.1 . . ?
N1 C4 C3 103.14(9) . . ?
H4A C4 H4B 109.1 . . ?
C3 C4 H4A 111.1 . . ?
C3 C4 H4B 111.1 . . ?
C6 C7 H7A 109.9 . . ?
C6 C7 H7B 109.9 . . ?
H7A C7 H7B 108.3 . . ?
C8 C7 C6 109.03(10) . . ?
C8 C7 H7A 109.9 . . ?
C8 C7 H7B 109.9 . . ?
N1 C1 C2 103.79(9) . . ?
N1 C1 H1A 111.0 . . ?
N1 C1 H1B 111.0 . . ?
C2 C1 H1A 111.0 . . ?
C2 C1 H1B 111.0 . . ?
H1A C1 H1B 109.0 . . ?
C13 C12 H12A 108.8 . . ?
C13 C12 H12B 108.8 . . ?
H12A C12 H12B 107.7 . . ?
C11 C12 C13 113.83(10) . . ?
C11 C12 H12A 108.8 . . ?
C11 C12 H12B 108.8 . . ?
C2 C3 H3A 111.3 . . ?
C2 C3 H3B 111.3 . . ?
C4 C3 C2 102.58(9) . . ?
C4 C3 H3A 111.3 . . ?
C4 C3 H3B 111.3 . . ?
H3A C3 H3B 109.2 . . ?
C10 C11 H11A 108.7 . . ?
C10 C11 H11B 108.7 . . ?
C12 C11 C10 114.11(9) . . ?
C12 C11 H11A 108.7 . . ?
C12 C11 H11B 108.7 . . ?
H11A C11 H11B 107.6 . . ?
N3 C8 C7 111.08(9) . . ?
N3 C8 H8A 109.4 . . ?
N3 C8 H8B 109.4 . . ?
C7 C8 H8A 109.4 . . ?
C7 C8 H8B 109.4 . . ?
H8A C8 H8B 108.0 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H2 O2 0.88 1.81 2.6787(13) 169.1 .

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
N3 C9 C10 C11 -69.70(13) . . . . ?
N1 C4 C3 C2 32.92(12) . . . . ?
N2 C9 C10 C11 109.94(11) . . . . ?
N2 C6 C7 C8 54.24(12) . . . . ?
C9 N3 C14 C13 63.31(14) . . . . ?
C9 N3 C8 C7 21.67(14) . . . . ?
C9 N2 C6 C7 -30.93(14) . . . . ?
C9 C10 C11 C12 79.77(12) . . . . ?
C13 C12 C11 C10 -60.71(13) . . . . ?
C6 N2 C9 N3 0.27(16) . . . . ?
C6 N2 C9 C10 -179.36(9) . . . . ?
C6 C7 C8 N3 -50.52(12) . . . . ?
C5 N1 C4 C3 -174.35(10) . . . . ?
C5 N1 C1 C2 149.38(11) . . . . ?
C14 N3 C9 N2 -173.96(10) . . . . ?
C14 N3 C9 C10 5.66(16) . . . . ?
C14 N3 C8 C7 -159.38(10) . . . . ?
C14 C13 C12 C11 62.85(13) . . . . ?
C4 N1 C5 O1 171.46(10) . . . . ?
C4 N1 C5 O2 -9.45(16) . . . . ?
C4 N1 C1 C2 -11.24(12) . . . . ?
C1 N1 C5 O1 12.91(16) . . . . ?
C1 N1 C5 O2 -168.01(10) . . . . ?
C1 N1 C4 C3 -13.81(12) . . . . ?
C1 C2 C3 C4 -39.95(11) . . . . ?
C12 C13 C14 N3 -82.33(12) . . . . ?
C3 C2 C1 N1 31.49(11) . . . . ?
C8 N3 C9 N2 4.94(16) . . . . ?
C8 N3 C9 C10 -175.44(9) . . . . ?
C8 N3 C14 C13 -115.63(11) . . . . ?

_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 1.932
_oxdiff_exptl_absorpt_empirical_full_min 0.541
