# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2021

####################################################################### 
# 
# 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_brpy
_database_code_depnum_ccdc_archive 'CCDC 2050889'
loop_
_audit_author_name
_audit_author_address
'Shanthi S'
;VIT
India
;
_audit_update_record             
;
2020-12-17 deposited with the CCDC.	2021-08-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C26 H20 N2'
_chemical_formula_sum            'C26 H20 N2'
_chemical_formula_weight         360.44

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   11.2948(5)
_cell_length_b                   15.2912(6)
_cell_length_c                   10.9882(3)
_cell_angle_alpha                90
_cell_angle_beta                 102.4061(18)
_cell_angle_gamma                90
_cell_volume                     1853.47(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    2451
_cell_measurement_theta_min      2.28
_cell_measurement_theta_max      23.39

_exptl_crystal_description       Block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.292
_exptl_crystal_F_000             760
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    0.076
_shelx_estimated_absorpt_T_min   0.981
_shelx_estimated_absorpt_T_max   0.992
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.981
_exptl_absorpt_correction_T_max  0.992
_exptl_absorpt_process_details   'SADABS V2014/5(Bruker AXS.Inc)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            13357
_diffrn_reflns_av_unetI/netI     0.0388
_diffrn_reflns_av_R_equivalents  0.0361
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.277
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_full        24.998
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             3271
_reflns_number_gt                2200
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.0432P)²+0.2190P] 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-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.0130(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         3271
_refine_ls_number_parameters     254
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0719
_refine_ls_R_factor_gt           0.0396
_refine_ls_wR_factor_ref         0.1015
_refine_ls_wR_factor_gt          0.0857
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_restrained_S_all      1.016
_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
C1 C 0.89239(16) 0.96646(11) 0.65986(14) 0.0390(4) Uani 1 1 d . . . . .
C2 C 0.81743(16) 1.00274(11) 0.54098(15) 0.0478(5) Uani 1 1 d . . . . .
H2A H 0.8706 1.0245 0.4892 0.057 Uiso 1 1 calc R U . . .
H2B H 0.7693 1.0514 0.5601 0.057 Uiso 1 1 calc R U . . .
C3 C 0.73445(17) 0.93358(12) 0.47031(15) 0.0526(5) Uani 1 1 d . . . . .
H3A H 0.6805 0.9601 0.3993 0.063 Uiso 1 1 calc R U . . .
H3B H 0.7824 0.8896 0.4394 0.063 Uiso 1 1 calc R U . . .
C4 C 0.66119(16) 0.89116(11) 0.55258(16) 0.0457(5) Uani 1 1 d . . . . .
C5 C 0.54037(18) 0.86862(13) 0.5088(2) 0.0648(6) Uani 1 1 d . . . . .
H5 H 0.5049 0.8771 0.4251 0.078 Uiso 1 1 calc R U . . .
C6 C 0.47220(19) 0.83404(14) 0.5865(2) 0.0730(6) Uani 1 1 d . . . . .
H6 H 0.3920 0.8179 0.5554 0.088 Uiso 1 1 calc R U . . .
C7 C 0.52363(18) 0.82345(13) 0.7109(2) 0.0638(6) Uani 1 1 d . . . . .
H7 H 0.4773 0.8017 0.7646 0.077 Uiso 1 1 calc R U . . .
C8 C 0.64314(17) 0.84481(11) 0.75629(17) 0.0497(5) Uani 1 1 d . . . . .
H8 H 0.6764 0.8381 0.8408 0.060 Uiso 1 1 calc R U . . .
C9 C 0.71561(15) 0.87637(10) 0.67794(15) 0.0405(4) Uani 1 1 d . . . . .
C10 C 0.84494(15) 0.89956(10) 0.72286(14) 0.0369(4) Uani 1 1 d . . . . .
C11 C 0.92376(15) 0.86063(10) 0.82490(14) 0.0366(4) Uani 1 1 d . . . . .
C12 C 0.89442(16) 0.77650(11) 0.88466(16) 0.0446(4) Uani 1 1 d . . . . .
H12A H 0.8361 0.7430 0.8250 0.054 Uiso 1 1 calc R U . . .
H12B H 0.8585 0.7898 0.9552 0.054 Uiso 1 1 calc R U . . .
C13 C 1.00890(16) 0.72298(11) 0.92808(17) 0.0503(5) Uani 1 1 d . . . . .
H13A H 0.9899 0.6696 0.9677 0.060 Uiso 1 1 calc R U . . .
H13B H 1.0427 0.7071 0.8571 0.060 Uiso 1 1 calc R U . . .
C14 C 1.09915(15) 0.77553(11) 1.01849(15) 0.0435(4) Uani 1 1 d . . . . .
C15 C 1.16353(17) 0.74268(13) 1.13090(17) 0.0549(5) Uani 1 1 d . . . . .
H15 H 1.1544 0.6843 1.1506 0.066 Uiso 1 1 calc R U . . .
C16 C 1.24072(18) 0.79512(15) 1.21380(17) 0.0597(6) Uani 1 1 d . . . . .
H16 H 1.2840 0.7720 1.2884 0.072 Uiso 1 1 calc R U . . .
C17 C 1.25369(17) 0.88182(14) 1.18608(16) 0.0550(5) Uani 1 1 d . . . . .
H17 H 1.3057 0.9174 1.2422 0.066 Uiso 1 1 calc R U . . .
C18 C 1.18981(16) 0.91617(12) 1.07521(14) 0.0460(5) Uani 1 1 d . . . . .
H18 H 1.1979 0.9751 1.0580 0.055 Uiso 1 1 calc R U . . .
C19 C 1.11333(15) 0.86374(11) 0.98880(14) 0.0393(4) Uani 1 1 d . . . . .
C20 C 1.03837(15) 0.89785(10) 0.87009(14) 0.0360(4) Uani 1 1 d . . . . .
C21 C 1.07434(15) 0.96659(10) 0.80192(14) 0.0375(4) Uani 1 1 d . . . . .
C22 C 1.19552(15) 1.00934(11) 0.83229(14) 0.0385(4) Uani 1 1 d . . . . .
C23 C 1.40117(18) 1.00011(13) 0.85704(16) 0.0558(5) Uani 1 1 d . . . . .
H23 H 1.4700 0.9668 0.8568 0.067 Uiso 1 1 calc R U . . .
C24 C 1.41619(19) 1.08798(14) 0.88134(16) 0.0564(5) Uani 1 1 d . . . . .
H24 H 1.4929 1.1133 0.8982 0.068 Uiso 1 1 calc R U . . .
C25 C 1.31456(18) 1.13716(13) 0.88000(16) 0.0532(5) Uani 1 1 d . . . . .
H25 H 1.3212 1.1968 0.8968 0.064 Uiso 1 1 calc R U . . .
C26 C 1.20328(17) 1.09776(11) 0.85367(15) 0.0433(4) Uani 1 1 d . . . . .
H26 H 1.1334 1.1306 0.8503 0.052 Uiso 1 1 calc R U . . .
N1 N 1.00361(13) 0.99885(8) 0.69755(12) 0.0414(4) Uani 1 1 d . . . . .
N2 N 1.29308(14) 0.95905(10) 0.83359(12) 0.0508(4) Uani 1 1 d . . . . .


_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
C1 N1 1.331(2) . ?
C1 C10 1.404(2) . ?
C1 C2 1.502(2) . ?
C2 C3 1.512(2) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C4 1.498(2) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 C5 1.389(2) . ?
C4 C9 1.401(2) . ?
C5 C6 1.373(3) . ?
C5 H5 0.9300 . ?
C6 C7 1.375(3) . ?
C6 H6 0.9300 . ?
C7 C8 1.374(2) . ?
C7 H7 0.9300 . ?
C8 C9 1.395(2) . ?
C8 H8 0.9300 . ?
C9 C10 1.481(2) . ?
C10 C11 1.405(2) . ?
C11 C20 1.404(2) . ?
C11 C12 1.513(2) . ?
C12 C13 1.518(2) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.496(2) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C15 1.386(2) . ?
C14 C19 1.405(2) . ?
C15 C16 1.375(3) . ?
C15 H15 0.9300 . ?
C16 C17 1.375(3) . ?
C16 H16 0.9300 . ?
C17 C18 1.379(2) . ?
C17 H17 0.9300 . ?
C18 C19 1.392(2) . ?
C18 H18 0.9300 . ?
C19 C20 1.489(2) . ?
C20 C21 1.401(2) . ?
C21 N1 1.3428(19) . ?
C21 C22 1.489(2) . ?
C22 N2 1.341(2) . ?
C22 C26 1.372(2) . ?
C23 N2 1.348(2) . ?
C23 C24 1.373(3) . ?
C23 H23 0.9300 . ?
C24 C25 1.370(3) . ?
C24 H24 0.9300 . ?
C25 C26 1.368(2) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?

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
N1 C1 C10 123.52(15) . . ?
N1 C1 C2 116.82(15) . . ?
C10 C1 C2 119.62(16) . . ?
C1 C2 C3 111.08(14) . . ?
C1 C2 H2A 109.4 . . ?
C3 C2 H2A 109.4 . . ?
C1 C2 H2B 109.4 . . ?
C3 C2 H2B 109.4 . . ?
H2A C2 H2B 108.0 . . ?
C4 C3 C2 110.77(14) . . ?
C4 C3 H3A 109.5 . . ?
C2 C3 H3A 109.5 . . ?
C4 C3 H3B 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 108.1 . . ?
C5 C4 C9 119.44(17) . . ?
C5 C4 C3 121.80(16) . . ?
C9 C4 C3 118.73(16) . . ?
C6 C5 C4 121.34(19) . . ?
C6 C5 H5 119.3 . . ?
C4 C5 H5 119.3 . . ?
C5 C6 C7 119.4(2) . . ?
C5 C6 H6 120.3 . . ?
C7 C6 H6 120.3 . . ?
C8 C7 C6 120.33(19) . . ?
C8 C7 H7 119.8 . . ?
C6 C7 H7 119.8 . . ?
C7 C8 C9 121.27(18) . . ?
C7 C8 H8 119.4 . . ?
C9 C8 H8 119.4 . . ?
C8 C9 C4 118.09(16) . . ?
C8 C9 C10 122.99(15) . . ?
C4 C9 C10 118.82(15) . . ?
C1 C10 C11 117.28(15) . . ?
C1 C10 C9 117.62(14) . . ?
C11 C10 C9 125.09(15) . . ?
C20 C11 C10 119.24(15) . . ?
C20 C11 C12 117.55(14) . . ?
C10 C11 C12 123.10(15) . . ?
C11 C12 C13 110.10(14) . . ?
C11 C12 H12A 109.6 . . ?
C13 C12 H12A 109.6 . . ?
C11 C12 H12B 109.6 . . ?
C13 C12 H12B 109.6 . . ?
H12A C12 H12B 108.2 . . ?
C14 C13 C12 109.39(15) . . ?
C14 C13 H13A 109.8 . . ?
C12 C13 H13A 109.8 . . ?
C14 C13 H13B 109.8 . . ?
C12 C13 H13B 109.8 . . ?
H13A C13 H13B 108.2 . . ?
C15 C14 C19 119.39(17) . . ?
C15 C14 C13 123.33(16) . . ?
C19 C14 C13 117.20(14) . . ?
C16 C15 C14 121.03(18) . . ?
C16 C15 H15 119.5 . . ?
C14 C15 H15 119.5 . . ?
C17 C16 C15 119.86(17) . . ?
C17 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C16 C17 C18 120.16(18) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C17 C18 C19 120.87(18) . . ?
C17 C18 H18 119.6 . . ?
C19 C18 H18 119.6 . . ?
C18 C19 C14 118.66(15) . . ?
C18 C19 C20 123.27(15) . . ?
C14 C19 C20 117.91(15) . . ?
C21 C20 C11 117.81(14) . . ?
C21 C20 C19 123.78(15) . . ?
C11 C20 C19 118.40(14) . . ?
N1 C21 C20 123.01(15) . . ?
N1 C21 C22 112.32(14) . . ?
C20 C21 C22 124.61(14) . . ?
N2 C22 C26 122.76(16) . . ?
N2 C22 C21 117.67(15) . . ?
C26 C22 C21 119.53(15) . . ?
N2 C23 C24 124.19(18) . . ?
N2 C23 H23 117.9 . . ?
C24 C23 H23 117.9 . . ?
C25 C24 C23 117.83(18) . . ?
C25 C24 H24 121.1 . . ?
C23 C24 H24 121.1 . . ?
C26 C25 C24 119.36(18) . . ?
C26 C25 H25 120.3 . . ?
C24 C25 H25 120.3 . . ?
C25 C26 C22 119.50(17) . . ?
C25 C26 H26 120.3 . . ?
C22 C26 H26 120.3 . . ?
C1 N1 C21 118.53(14) . . ?
C22 N2 C23 116.32(16) . . ?

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 C1 C2 C3 146.84(15) . . . . ?
C10 C1 C2 C3 -31.2(2) . . . . ?
C1 C2 C3 C4 52.5(2) . . . . ?
C2 C3 C4 C5 141.12(18) . . . . ?
C2 C3 C4 C9 -37.0(2) . . . . ?
C9 C4 C5 C6 1.6(3) . . . . ?
C3 C4 C5 C6 -176.48(19) . . . . ?
C4 C5 C6 C7 1.6(3) . . . . ?
C5 C6 C7 C8 -1.9(3) . . . . ?
C6 C7 C8 C9 -0.9(3) . . . . ?
C7 C8 C9 C4 4.0(3) . . . . ?
C7 C8 C9 C10 -179.56(16) . . . . ?
C5 C4 C9 C8 -4.3(3) . . . . ?
C3 C4 C9 C8 173.81(16) . . . . ?
C5 C4 C9 C10 179.14(16) . . . . ?
C3 C4 C9 C10 -2.7(2) . . . . ?
N1 C1 C10 C11 -5.4(2) . . . . ?
C2 C1 C10 C11 172.43(14) . . . . ?
N1 C1 C10 C9 173.72(14) . . . . ?
C2 C1 C10 C9 -8.4(2) . . . . ?
C8 C9 C10 C1 -149.48(16) . . . . ?
C4 C9 C10 C1 26.9(2) . . . . ?
C8 C9 C10 C11 29.6(2) . . . . ?
C4 C9 C10 C11 -154.04(15) . . . . ?
C1 C10 C11 C20 9.2(2) . . . . ?
C9 C10 C11 C20 -169.88(14) . . . . ?
C1 C10 C11 C12 -166.93(14) . . . . ?
C9 C10 C11 C12 14.0(2) . . . . ?
C20 C11 C12 C13 -31.5(2) . . . . ?
C10 C11 C12 C13 144.72(16) . . . . ?
C11 C12 C13 C14 58.39(18) . . . . ?
C12 C13 C14 C15 133.40(17) . . . . ?
C12 C13 C14 C19 -43.3(2) . . . . ?
C19 C14 C15 C16 0.2(3) . . . . ?
C13 C14 C15 C16 -176.47(17) . . . . ?
C14 C15 C16 C17 0.7(3) . . . . ?
C15 C16 C17 C18 -0.2(3) . . . . ?
C16 C17 C18 C19 -1.3(3) . . . . ?
C17 C18 C19 C14 2.1(2) . . . . ?
C17 C18 C19 C20 177.43(16) . . . . ?
C15 C14 C19 C18 -1.6(2) . . . . ?
C13 C14 C19 C18 175.25(15) . . . . ?
C15 C14 C19 C20 -177.14(15) . . . . ?
C13 C14 C19 C20 -0.3(2) . . . . ?
C10 C11 C20 C21 -7.2(2) . . . . ?
C12 C11 C20 C21 169.12(14) . . . . ?
C10 C11 C20 C19 171.30(14) . . . . ?
C12 C11 C20 C19 -12.4(2) . . . . ?
C18 C19 C20 C21 33.3(2) . . . . ?
C14 C19 C20 C21 -151.43(16) . . . . ?
C18 C19 C20 C11 -145.18(16) . . . . ?
C14 C19 C20 C11 30.1(2) . . . . ?
C11 C20 C21 N1 1.1(2) . . . . ?
C19 C20 C21 N1 -177.31(14) . . . . ?
C11 C20 C21 C22 -175.92(14) . . . . ?
C19 C20 C21 C22 5.6(2) . . . . ?
N1 C21 C22 N2 -117.63(16) . . . . ?
C20 C21 C22 N2 59.7(2) . . . . ?
N1 C21 C22 C26 60.31(19) . . . . ?
C20 C21 C22 C26 -122.36(18) . . . . ?
N2 C23 C24 C25 -0.9(3) . . . . ?
C23 C24 C25 C26 -0.6(3) . . . . ?
C24 C25 C26 C22 1.7(2) . . . . ?
N2 C22 C26 C25 -1.3(2) . . . . ?
C21 C22 C26 C25 -179.17(14) . . . . ?
C10 C1 N1 C21 -0.6(2) . . . . ?
C2 C1 N1 C21 -178.49(14) . . . . ?
C20 C21 N1 C1 2.8(2) . . . . ?
C22 C21 N1 C1 -179.81(13) . . . . ?
C26 C22 N2 C23 -0.1(2) . . . . ?
C21 C22 N2 C23 177.73(14) . . . . ?
C24 C23 N2 C22 1.3(3) . . . . ?

_refine_diff_density_max         0.170
_refine_diff_density_min         -0.128
_refine_diff_density_rms         0.032

