# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_exp_968_ik_apis-cp_autored
_database_code_depnum_ccdc_archive 'CCDC 2166129'
loop_
_audit_author_name
_audit_author_address
'Krishnan Rangan'
;Birla Institute of Technology and Science Pilani Hyderabad Campus
India
;
_audit_update_record             
;
2022-04-12 deposited with the CCDC.	2022-06-24 downloaded from the CCDC.
;
_audit_creation_date             2021-12-11
_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         'C15 H14 N2 O2'
_chemical_formula_sum            'C15 H14 N2 O2'
_chemical_formula_weight         254.28
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C15 H14 N2 O2'
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/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                   11.1124(2)
_cell_length_b                   11.30100(10)
_cell_length_c                   10.6161(2)
_cell_angle_alpha                90
_cell_angle_beta                 109.698(2)
_cell_angle_gamma                90
_cell_volume                     1255.17(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8423
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      79.2050
_cell_measurement_theta_min      4.2000
_shelx_estimated_absorpt_T_max   0.964
_shelx_estimated_absorpt_T_min   0.867
_exptl_absorpt_coefficient_mu    0.737
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.70204
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
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    1.346
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             536
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0296
_diffrn_reflns_av_unetI/netI     0.0230
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            13555
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         79.618
_diffrn_reflns_theta_min         4.226
_diffrn_ambient_temperature      93(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 5.8140
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -23.00  56.00   0.50    1.00    --    0.00  57.00-180.00  158
  2  ω    -67.00  -3.00   0.50    1.00    --    0.00 -37.00  60.00  128
  3  ω    -79.00  22.00   0.50    1.00    --    0.00 -57.00-180.00  202
  4  ω    -85.00   3.00   0.50    1.00    --    0.00 -77.00   0.00  176
  5  ω     98.00 140.00   0.50    3.00    --  107.20 -82.00-150.00   84
  6  ω     85.00 140.00   0.50    3.00    --  107.20 -82.00 -30.00  110
  7  ω     35.00  71.00   0.50    3.00    --  107.20 -45.00  30.00   72
  8  ω     31.00  56.00   0.50    3.00    --  107.20 -82.00  60.00   50
  9  ω     41.00  67.00   0.50    3.00    --  107.20 -82.00-150.00   52
 10  ω     63.00 120.00   0.50    3.00    --  107.20 -82.00  60.00  114
 11  ω     49.00 134.00   0.50    3.00    --  107.20 -82.00 -90.00  170
 12  ω     99.00 193.00   0.50    3.00    --  107.20  45.00  30.00  188
 13  ω     19.00 128.00   0.50    3.00    --  107.20 -61.00 -90.00  218
 14  ω     90.00 126.00   0.50    3.00    --  107.20  30.00 150.00   72
 15  ω     20.00  54.00   0.50    3.00    --  107.20 -82.00  90.00   68
 16  ω    136.00 197.00   0.50    3.00    --  107.20  30.00 -60.00  122
 17  ω    160.00 186.00   0.50    3.00    --  107.20  30.00 150.00   52
 18  ω    104.00 139.00   0.50    3.00    --  107.20 -82.00  90.00   70
 19  ω     18.00  51.00   0.50    3.00    --  107.20 -61.00  90.00   66
 20  ω     75.00 111.00   0.50    3.00    --  107.20 -61.00  90.00   72
 21  ω     39.00  65.00   0.50    3.00    --  107.20 -77.00-150.00   52
 22  ω     90.00 124.00   0.50    3.00    --  107.20  30.00 -60.00   68
 23  ω     75.00 105.00   0.50    3.00    --  107.20 -45.00  30.00   60
 24  ω    100.00 131.00   0.50    3.00    --  107.20 -82.00 150.00   62
 25  ω    102.00 163.00   0.50    3.00    --  107.20  30.00 -30.00  122
 26  ω    168.00 197.00   0.50    3.00    --  107.20  30.00 -30.00   58
 27  ω     55.00 137.00   0.50    3.00    --  107.20 -82.00 120.00  164
 28  ω     91.00 195.00   0.50    3.00    --  107.20  52.00   8.00  208
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa dual home/near'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.1271900000
_diffrn_orient_matrix_UB_12      -0.0378297000
_diffrn_orient_matrix_UB_13      0.1057065000
_diffrn_orient_matrix_UB_21      0.0735339000
_diffrn_orient_matrix_UB_22      0.0782264000
_diffrn_orient_matrix_UB_23      -0.0681243000
_diffrn_orient_matrix_UB_31      -0.0089757000
_diffrn_orient_matrix_UB_32      0.1051383000
_diffrn_orient_matrix_UB_33      0.0890452000
_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              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2498
_reflns_number_total             2695
_reflns_odcompleteness_completeness 100.00
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     71.98
_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 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_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         0.271
_refine_diff_density_min         -0.336
_refine_diff_density_rms         0.041
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     173
_refine_ls_number_reflns         2695
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0411
_refine_ls_R_factor_gt           0.0386
_refine_ls_restrained_S_all      1.066
_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)+(0.0401P)²+0.5742P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0964
_refine_ls_wR_factor_ref         0.0980
_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 O(H) groups
2.a Ternary CH refined with riding coordinates:
 C13(H13)
2.b Secondary CH2 refined with riding coordinates:
 C14(H14A,H14B), C15(H15A,H15B)
2.c Aromatic/amide H refined with riding coordinates:
 N1(H1), C2(H2A), C3(H3), C4(H4), C5(H5), C10(H10), C11(H11), C12(H12)
2.d Idealised tetrahedral OH refined as rotating group:
 O2(H2)
;
_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
O1 O 0.03927(9) 0.36183(7) 0.42857(9) 0.0253(2) Uani 1 1 d . . . . .
O2 O 0.01808(8) 0.61362(7) 0.34516(8) 0.02026(19) Uani 1 1 d . . . . .
H2 H 0.009375 0.612156 0.420732 0.030 Uiso 1 1 calc R U . . .
N1 N 0.09098(9) 0.35310(8) 0.23735(10) 0.0200(2) Uani 1 1 d . . . . .
H1 H 0.077065 0.277227 0.219783 0.024 Uiso 1 1 calc R U . . .
N2 N 0.43279(10) 0.62574(10) 0.59250(12) 0.0300(3) Uani 1 1 d . . . . .
C1 C 0.12862(11) 0.43365(10) 0.15571(11) 0.0194(2) Uani 1 1 d . . . . .
C2 C 0.14611(11) 0.41213(10) 0.03522(12) 0.0227(2) Uani 1 1 d . . . . .
H2A H 0.134093 0.335452 -0.003726 0.027 Uiso 1 1 calc R U . . .
C3 C 0.18228(12) 0.50800(11) -0.02718(12) 0.0254(3) Uani 1 1 d . . . . .
H3 H 0.195811 0.496140 -0.109991 0.031 Uiso 1 1 calc R U . . .
C4 C 0.19888(12) 0.62037(11) 0.02944(13) 0.0259(3) Uani 1 1 d . . . . .
H4 H 0.223222 0.684130 -0.015123 0.031 Uiso 1 1 calc R U . . .
C5 C 0.18007(11) 0.64024(10) 0.15124(13) 0.0234(3) Uani 1 1 d . . . . .
H5 H 0.190183 0.717132 0.189576 0.028 Uiso 1 1 calc R U . . .
C6 C 0.14639(11) 0.54555(10) 0.21487(12) 0.0196(2) Uani 1 1 d . . . . .
C7 C 0.12270(11) 0.53853(9) 0.34636(12) 0.0190(2) Uani 1 1 d . . . . .
C8 C 0.07914(11) 0.40762(10) 0.34579(11) 0.0188(2) Uani 1 1 d . . . . .
C9 C 0.24077(11) 0.56118(10) 0.46569(12) 0.0215(2) Uani 1 1 d . . . . .
C10 C 0.25632(13) 0.54026(11) 0.60252(13) 0.0289(3) Uani 1 1 d . . . . .
H10 H 0.195658 0.504640 0.635853 0.035 Uiso 1 1 calc R U . . .
C11 C 0.37492(14) 0.58103(12) 0.67710(14) 0.0329(3) Uani 1 1 d . . . . .
H11 H 0.410981 0.578632 0.771911 0.040 Uiso 1 1 calc R U . . .
C12 C 0.35226(12) 0.61277(11) 0.46337(13) 0.0261(3) Uani 1 1 d . . . . .
H12 H 0.370241 0.635515 0.385406 0.031 Uiso 1 1 calc R U . . .
C13 C 0.55975(13) 0.67440(14) 0.63143(18) 0.0436(4) Uani 1 1 d . . . . .
H13 H 0.630303 0.616582 0.640483 0.052 Uiso 1 1 calc R U . . .
C14 C 0.57618(18) 0.7938(2) 0.58035(19) 0.0592(5) Uani 1 1 d . . . . .
H14A H 0.653783 0.808220 0.556619 0.071 Uiso 1 1 calc R U . . .
H14B H 0.498569 0.835621 0.523517 0.071 Uiso 1 1 calc R U . . .
C15 C 0.59248(14) 0.77733(12) 0.72321(15) 0.0367(3) Uani 1 1 d . . . . .
H15A H 0.525113 0.809005 0.755585 0.044 Uiso 1 1 calc R U . . .
H15B H 0.680280 0.781612 0.788676 0.044 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 C8 1.2244(14) . ?
O2 H2 0.8400 . ?
O2 C7 1.4360(13) . ?
N1 H1 0.8800 . ?
N1 C1 1.4139(14) . ?
N1 C8 1.3507(15) . ?
N2 C11 1.3656(19) . ?
N2 C12 1.3692(17) . ?
N2 C13 1.4389(17) . ?
C1 C2 1.3786(16) . ?
C1 C6 1.3961(15) . ?
C2 H2A 0.9500 . ?
C2 C3 1.3977(17) . ?
C3 H3 0.9500 . ?
C3 C4 1.3904(18) . ?
C4 H4 0.9500 . ?
C4 C5 1.3958(18) . ?
C5 H5 0.9500 . ?
C5 C6 1.3828(16) . ?
C6 C7 1.5073(16) . ?
C7 C8 1.5559(15) . ?
C7 C9 1.5070(16) . ?
C9 C10 1.4236(17) . ?
C9 C12 1.3770(17) . ?
C10 H10 0.9500 . ?
C10 C11 1.3685(19) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 H13 1.0000 . ?
C13 C14 1.489(3) . ?
C13 C15 1.4819(19) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.477(2) . ?
C15 H15A 0.9900 . ?
C15 H15B 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
C7 O2 H2 109.5 . . ?
C1 N1 H1 124.4 . . ?
C8 N1 H1 124.4 . . ?
C8 N1 C1 111.27(9) . . ?
C11 N2 C12 108.97(11) . . ?
C11 N2 C13 125.87(13) . . ?
C12 N2 C13 125.11(13) . . ?
C2 C1 N1 128.21(10) . . ?
C2 C1 C6 122.30(11) . . ?
C6 C1 N1 109.49(10) . . ?
C1 C2 H2A 121.4 . . ?
C1 C2 C3 117.13(11) . . ?
C3 C2 H2A 121.4 . . ?
C2 C3 H3 119.3 . . ?
C4 C3 C2 121.36(11) . . ?
C4 C3 H3 119.3 . . ?
C3 C4 H4 119.7 . . ?
C3 C4 C5 120.53(11) . . ?
C5 C4 H4 119.7 . . ?
C4 C5 H5 120.7 . . ?
C6 C5 C4 118.54(11) . . ?
C6 C5 H5 120.7 . . ?
C1 C6 C7 109.06(10) . . ?
C5 C6 C1 120.12(11) . . ?
C5 C6 C7 130.82(10) . . ?
O2 C7 C6 110.75(9) . . ?
O2 C7 C8 108.18(9) . . ?
O2 C7 C9 112.33(9) . . ?
C6 C7 C8 101.40(9) . . ?
C9 C7 C6 113.28(10) . . ?
C9 C7 C8 110.26(9) . . ?
O1 C8 N1 125.57(10) . . ?
O1 C8 C7 125.91(10) . . ?
N1 C8 C7 108.51(9) . . ?
C10 C9 C7 126.97(11) . . ?
C12 C9 C7 126.20(11) . . ?
C12 C9 C10 106.74(11) . . ?
C9 C10 H10 126.4 . . ?
C11 C10 C9 107.25(12) . . ?
C11 C10 H10 126.4 . . ?
N2 C11 C10 108.62(12) . . ?
N2 C11 H11 125.7 . . ?
C10 C11 H11 125.7 . . ?
N2 C12 C9 108.41(12) . . ?
N2 C12 H12 125.8 . . ?
C9 C12 H12 125.8 . . ?
N2 C13 H13 116.0 . . ?
N2 C13 C14 118.07(14) . . ?
N2 C13 C15 119.24(12) . . ?
C14 C13 H13 116.0 . . ?
C15 C13 H13 116.0 . . ?
C15 C13 C14 59.65(11) . . ?
C13 C14 H14A 117.8 . . ?
C13 C14 H14B 117.8 . . ?
H14A C14 H14B 114.9 . . ?
C15 C14 C13 59.95(11) . . ?
C15 C14 H14A 117.8 . . ?
C15 C14 H14B 117.8 . . ?
C13 C15 H15A 117.7 . . ?
C13 C15 H15B 117.7 . . ?
C14 C15 C13 60.40(12) . . ?
C14 C15 H15A 117.7 . . ?
C14 C15 H15B 117.7 . . ?
H15A C15 H15B 114.9 . . ?

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
_geom_hbond_publ_flag
O2 H2 O1 0.84 1.88 2.6990(12) 166.0 3_566 yes
N1 H1 O2 0.88 2.13 2.9740(12) 161.6 2_545 yes

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
O2 C7 C8 O1 -57.40(15) . . . . ?
O2 C7 C8 N1 121.75(10) . . . . ?
O2 C7 C9 C10 65.89(15) . . . . ?
O2 C7 C9 C12 -110.04(13) . . . . ?
N1 C1 C2 C3 179.18(11) . . . . ?
N1 C1 C6 C5 -178.16(10) . . . . ?
N1 C1 C6 C7 1.68(13) . . . . ?
N2 C13 C14 C15 109.22(15) . . . . ?
N2 C13 C15 C14 -107.29(18) . . . . ?
C1 N1 C8 O1 174.54(11) . . . . ?
C1 N1 C8 C7 -4.62(13) . . . . ?
C1 C2 C3 C4 -0.50(18) . . . . ?
C1 C6 C7 O2 -118.69(10) . . . . ?
C1 C6 C7 C8 -4.06(12) . . . . ?
C1 C6 C7 C9 114.06(11) . . . . ?
C2 C1 C6 C5 1.42(18) . . . . ?
C2 C1 C6 C7 -178.74(10) . . . . ?
C2 C3 C4 C5 0.22(19) . . . . ?
C3 C4 C5 C6 0.88(18) . . . . ?
C4 C5 C6 C1 -1.66(18) . . . . ?
C4 C5 C6 C7 178.53(11) . . . . ?
C5 C6 C7 O2 61.13(16) . . . . ?
C5 C6 C7 C8 175.76(12) . . . . ?
C5 C6 C7 C9 -66.12(16) . . . . ?
C6 C1 C2 C3 -0.31(18) . . . . ?
C6 C7 C8 O1 -173.93(11) . . . . ?
C6 C7 C8 N1 5.23(12) . . . . ?
C6 C7 C9 C10 -167.69(11) . . . . ?
C6 C7 C9 C12 16.37(16) . . . . ?
C7 C9 C10 C11 -175.83(11) . . . . ?
C7 C9 C12 N2 175.48(10) . . . . ?
C8 N1 C1 C2 -177.59(11) . . . . ?
C8 N1 C1 C6 1.95(13) . . . . ?
C8 C7 C9 C10 -54.85(15) . . . . ?
C8 C7 C9 C12 129.21(12) . . . . ?
C9 C7 C8 O1 65.80(15) . . . . ?
C9 C7 C8 N1 -115.05(11) . . . . ?
C9 C10 C11 N2 -0.09(15) . . . . ?
C10 C9 C12 N2 -1.13(13) . . . . ?
C11 N2 C12 C9 1.10(14) . . . . ?
C11 N2 C13 C14 -128.19(17) . . . . ?
C11 N2 C13 C15 -59.2(2) . . . . ?
C12 N2 C11 C10 -0.62(15) . . . . ?
C12 N2 C13 C14 54.47(19) . . . . ?
C12 N2 C13 C15 123.52(16) . . . . ?
C12 C9 C10 C11 0.75(14) . . . . ?
C13 N2 C11 C10 -178.31(12) . . . . ?
C13 N2 C12 C9 178.82(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 1.848
_oxdiff_exptl_absorpt_empirical_full_min 0.681
