# 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 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_vsk7
_database_code_depnum_ccdc_archive 'CCDC 2123419'
loop_
_audit_author_name
_audit_author_address
CCDC
;Kaohsiung Medical University Taiwan
Taiwan
;
_audit_update_record             
;
2021-11-22 deposited with the CCDC.	2022-07-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         'C13 H9 N3 O'
_chemical_formula_sum            'C13 H9 N3 O'
_chemical_melting_point          ?

_exptl_crystal_description       parallelepiped
_exptl_crystal_colour            green
_diffrn_ambient_temperature      150(2)
_chemical_formula_weight         223.23

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'
O O 0.0106 0.0060 '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/n'
_space_group_name_Hall           '-P 2yn'

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

_cell_length_a                   10.8002(6)
_cell_length_b                   8.8240(5)
_cell_length_c                   22.0252(13)
_cell_angle_alpha                90
_cell_angle_beta                 100.264(3)
_cell_angle_gamma                90
_cell_volume                     2065.4(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9952
_cell_measurement_theta_min      2.977
_cell_measurement_theta_max      26.423
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.436
_exptl_crystal_F_000             928
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.530
_exptl_crystal_size_mid          0.290
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    0.095
_shelx_estimated_absorpt_T_min   0.951
_shelx_estimated_absorpt_T_max   0.981
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8181
_exptl_absorpt_correction_T_max  0.9281
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_absorpt_special_details   ?
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_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            34885
_diffrn_reflns_av_unetI/netI     0.0230
_diffrn_reflns_av_R_equivalents  0.0429
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         3.041
_diffrn_reflns_theta_max         26.394
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             4196
_reflns_number_gt                3431
_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       'APEX2 (Bruker AXS, 2010)'
_computing_cell_refinement       'SAINT V7.34A (Bruker AXS, 2006)'
_computing_data_reduction        'SAINT V7.34A (Bruker AXS, 2006)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.0607P)²+0.8481P] 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     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4196
_refine_ls_number_parameters     307
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0533
_refine_ls_R_factor_gt           0.0398
_refine_ls_wR_factor_ref         0.1221
_refine_ls_wR_factor_gt          0.1084
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_restrained_S_all      1.067
_refine_ls_shift/su_max          0.000
_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
O1 O 0.76485(11) 0.40623(13) 0.06843(6) 0.0389(3) Uani 1 1 d . . . . .
N1 N 0.42693(12) 0.10233(14) 0.05315(6) 0.0269(3) Uani 1 1 d . . . . .
N2 N 0.53884(12) 0.27497(14) 0.00905(6) 0.0264(3) Uani 1 1 d . . . . .
N3 N 0.71170(13) 0.31238(15) 0.09893(6) 0.0320(3) Uani 1 1 d . . . . .
C1 C 0.43194(14) 0.18576(16) 0.00188(7) 0.0258(3) Uani 1 1 d . . . . .
C2 C 0.34592(15) 0.18998(18) -0.05345(7) 0.0308(3) Uani 1 1 d . . . . .
H2A H 0.2715 0.1304 -0.0589 0.037 Uiso 1 1 calc R U . . .
C3 C 0.37143(17) 0.28253(19) -0.09999(8) 0.0349(4) Uani 1 1 d . . . . .
H3B H 0.3145 0.2864 -0.1382 0.042 Uiso 1 1 calc R U . . .
C4 C 0.48128(17) 0.37144(18) -0.09130(7) 0.0344(4) Uani 1 1 d . . . . .
H4A H 0.4976 0.4349 -0.1238 0.041 Uiso 1 1 calc R U . . .
C5 C 0.56465(16) 0.36812(17) -0.03703(7) 0.0308(4) Uani 1 1 d . . . . .
H5A H 0.6386 0.4286 -0.0312 0.037 Uiso 1 1 calc R U . . .
C6 C 0.60455(14) 0.24705(17) 0.06923(7) 0.0266(3) Uani 1 1 d . . . . .
C7 C 0.53008(14) 0.13821(16) 0.09396(7) 0.0254(3) Uani 1 1 d . . . . .
C8 C 0.55454(15) 0.06629(17) 0.15534(7) 0.0273(3) Uani 1 1 d . . . . .
C9 C 0.67457(15) 0.06076(19) 0.19175(7) 0.0323(4) Uani 1 1 d . . . . .
H9A H 0.7438 0.1069 0.1777 0.039 Uiso 1 1 calc R U . . .
C10 C 0.69234(17) -0.0125(2) 0.24858(8) 0.0390(4) Uani 1 1 d . . . . .
H10A H 0.7740 -0.0160 0.2732 0.047 Uiso 1 1 calc R U . . .
C11 C 0.59245(18) -0.0802(2) 0.26958(8) 0.0409(4) Uani 1 1 d . . . . .
H11A H 0.6053 -0.1304 0.3084 0.049 Uiso 1 1 calc R U . . .
C12 C 0.47315(18) -0.0744(2) 0.23351(8) 0.0403(4) Uani 1 1 d . . . . .
H12A H 0.4042 -0.1204 0.2478 0.048 Uiso 1 1 calc R U . . .
C13 C 0.45403(16) -0.00197(19) 0.17679(7) 0.0326(4) Uani 1 1 d . . . . .
H13A H 0.3721 0.0013 0.1524 0.039 Uiso 1 1 calc R U . . .
O2 O 0.24346(11) 0.38481(13) 0.07202(6) 0.0394(3) Uani 1 1 d . . . . .
N4 N -0.08797(12) 0.07312(14) 0.06273(6) 0.0259(3) Uani 1 1 d . . . . .
N5 N 0.01731(12) 0.24939(14) 0.01677(6) 0.0263(3) Uani 1 1 d . . . . .
N6 N 0.19447(13) 0.29008(15) 0.10374(6) 0.0325(3) Uani 1 1 d . . . . .
C14 C -0.08657(14) 0.15596(16) 0.01078(7) 0.0254(3) Uani 1 1 d . . . . .
C15 C -0.17456(15) 0.15616(18) -0.04385(7) 0.0297(3) Uani 1 1 d . . . . .
H15A H -0.2469 0.0931 -0.0485 0.036 Uiso 1 1 calc R U . . .
C16 C -0.15385(16) 0.24991(19) -0.09078(7) 0.0341(4) Uani 1 1 d . . . . .
H16A H -0.2130 0.2527 -0.1283 0.041 Uiso 1 1 calc R U . . .
C17 C -0.04582(17) 0.34197(19) -0.08381(7) 0.0347(4) Uani 1 1 d . . . . .
H17A H -0.0325 0.4053 -0.1169 0.042 Uiso 1 1 calc R U . . .
C18 C 0.03985(16) 0.34166(17) -0.03035(7) 0.0304(3) Uani 1 1 d . . . . .
H18A H 0.1130 0.4034 -0.0258 0.037 Uiso 1 1 calc R U . . .
C19 C 0.08543(14) 0.22544(17) 0.07673(7) 0.0267(3) Uani 1 1 d . . . . .
C20 C 0.01487(14) 0.11404(16) 0.10291(7) 0.0243(3) Uani 1 1 d . . . . .
C21 C 0.04360(14) 0.04292(17) 0.16416(7) 0.0249(3) Uani 1 1 d . . . . .
C22 C 0.14558(15) 0.08590(18) 0.20929(7) 0.0311(3) Uani 1 1 d . . . . .
H22A H 0.1995 0.1657 0.2013 0.037 Uiso 1 1 calc R U . . .
C23 C 0.16803(16) 0.01167(19) 0.26602(7) 0.0350(4) Uani 1 1 d . . . . .
H23A H 0.2370 0.0421 0.2966 0.042 Uiso 1 1 calc R U . . .
C24 C 0.09147(16) -0.10560(19) 0.27834(7) 0.0325(4) Uani 1 1 d . . . . .
H24A H 0.1077 -0.1554 0.3172 0.039 Uiso 1 1 calc R U . . .
C25 C -0.00931(16) -0.1502(2) 0.23361(7) 0.0344(4) Uani 1 1 d . . . . .
H25A H -0.0619 -0.2315 0.2416 0.041 Uiso 1 1 calc R U . . .
C26 C -0.03306(15) -0.07590(19) 0.17728(7) 0.0302(3) Uani 1 1 d . . . . .
H26A H -0.1027 -0.1063 0.1471 0.036 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 N3 1.2665(17) . ?
N1 C7 1.3388(19) . ?
N1 C1 1.3572(19) . ?
N2 C5 1.3725(19) . ?
N2 C1 1.3830(19) . ?
N2 C6 1.4093(19) . ?
N3 C6 1.353(2) . ?
C1 C2 1.395(2) . ?
C2 C3 1.376(2) . ?
C2 H2A 0.9500 . ?
C3 C4 1.407(2) . ?
C3 H3B 0.9500 . ?
C4 C5 1.363(2) . ?
C4 H4A 0.9500 . ?
C5 H5A 0.9500 . ?
C6 C7 1.422(2) . ?
C7 C8 1.474(2) . ?
C8 C13 1.395(2) . ?
C8 C9 1.398(2) . ?
C9 C10 1.391(2) . ?
C9 H9A 0.9500 . ?
C10 C11 1.383(3) . ?
C10 H10A 0.9500 . ?
C11 C12 1.389(3) . ?
C11 H11A 0.9500 . ?
C12 C13 1.386(2) . ?
C12 H12A 0.9500 . ?
C13 H13A 0.9500 . ?
O2 N6 1.2643(17) . ?
N4 C20 1.3404(19) . ?
N4 C14 1.3602(19) . ?
N5 C14 1.3795(19) . ?
N5 C18 1.3745(19) . ?
N5 C19 1.4086(19) . ?
N6 C19 1.348(2) . ?
C14 C15 1.394(2) . ?
C15 C16 1.373(2) . ?
C15 H15A 0.9500 . ?
C16 C17 1.407(2) . ?
C16 H16A 0.9500 . ?
C17 C18 1.362(2) . ?
C17 H17A 0.9500 . ?
C18 H18A 0.9500 . ?
C19 C20 1.427(2) . ?
C20 C21 1.470(2) . ?
C21 C22 1.398(2) . ?
C21 C26 1.398(2) . ?
C22 C23 1.393(2) . ?
C22 H22A 0.9500 . ?
C23 C24 1.381(2) . ?
C23 H23A 0.9500 . ?
C24 C25 1.389(2) . ?
C24 H24A 0.9500 . ?
C25 C26 1.386(2) . ?
C25 H25A 0.9500 . ?
C26 H26A 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
C7 N1 C1 106.18(13) . . ?
C5 N2 C1 122.13(13) . . ?
C5 N2 C6 131.72(14) . . ?
C1 N2 C6 106.15(12) . . ?
O1 N3 C6 116.86(14) . . ?
N1 C1 N2 111.72(13) . . ?
N1 C1 C2 128.48(14) . . ?
N2 C1 C2 119.80(14) . . ?
C3 C2 C1 118.42(15) . . ?
C3 C2 H2A 120.8 . . ?
C1 C2 H2A 120.8 . . ?
C2 C3 C4 120.36(15) . . ?
C2 C3 H3B 119.8 . . ?
C4 C3 H3B 119.8 . . ?
C5 C4 C3 121.13(15) . . ?
C5 C4 H4A 119.4 . . ?
C3 C4 H4A 119.4 . . ?
C4 C5 N2 118.16(15) . . ?
C4 C5 H5A 120.9 . . ?
N2 C5 H5A 120.9 . . ?
N3 C6 N2 128.64(14) . . ?
N3 C6 C7 126.59(14) . . ?
N2 C6 C7 104.71(13) . . ?
N1 C7 C6 111.24(13) . . ?
N1 C7 C8 120.37(14) . . ?
C6 C7 C8 128.39(14) . . ?
C13 C8 C9 119.23(15) . . ?
C13 C8 C7 118.25(14) . . ?
C9 C8 C7 122.50(14) . . ?
C8 C9 C10 119.83(16) . . ?
C8 C9 H9A 120.1 . . ?
C10 C9 H9A 120.1 . . ?
C11 C10 C9 120.72(16) . . ?
C11 C10 H10A 119.6 . . ?
C9 C10 H10A 119.6 . . ?
C10 C11 C12 119.47(16) . . ?
C10 C11 H11A 120.3 . . ?
C12 C11 H11A 120.3 . . ?
C11 C12 C13 120.45(17) . . ?
C11 C12 H12A 119.8 . . ?
C13 C12 H12A 119.8 . . ?
C8 C13 C12 120.29(16) . . ?
C8 C13 H13A 119.9 . . ?
C12 C13 H13A 119.9 . . ?
C20 N4 C14 106.17(12) . . ?
C14 N5 C18 122.16(13) . . ?
C14 N5 C19 106.26(12) . . ?
C18 N5 C19 131.58(14) . . ?
O2 N6 C19 117.05(14) . . ?
N4 C14 N5 111.81(13) . . ?
N4 C14 C15 128.23(14) . . ?
N5 C14 C15 119.97(14) . . ?
C16 C15 C14 118.23(15) . . ?
C16 C15 H15A 120.9 . . ?
C14 C15 H15A 120.9 . . ?
C15 C16 C17 120.58(15) . . ?
C15 C16 H16A 119.7 . . ?
C17 C16 H16A 119.7 . . ?
C18 C17 C16 121.03(15) . . ?
C18 C17 H17A 119.5 . . ?
C16 C17 H17A 119.5 . . ?
C17 C18 N5 118.01(15) . . ?
C17 C18 H18A 121.0 . . ?
N5 C18 H18A 121.0 . . ?
N6 C19 N5 128.29(14) . . ?
N6 C19 C20 126.93(14) . . ?
N5 C19 C20 104.77(13) . . ?
N4 C20 C19 110.99(13) . . ?
N4 C20 C21 120.36(13) . . ?
C19 C20 C21 128.63(14) . . ?
C22 C21 C26 118.51(14) . . ?
C22 C21 C20 123.18(14) . . ?
C26 C21 C20 118.30(14) . . ?
C21 C22 C23 119.94(15) . . ?
C21 C22 H22A 120.0 . . ?
C23 C22 H22A 120.0 . . ?
C24 C23 C22 120.92(15) . . ?
C24 C23 H23A 119.5 . . ?
C22 C23 H23A 119.5 . . ?
C23 C24 C25 119.59(15) . . ?
C23 C24 H24A 120.2 . . ?
C25 C24 H24A 120.2 . . ?
C26 C25 C24 119.84(16) . . ?
C26 C25 H25A 120.1 . . ?
C24 C25 H25A 120.1 . . ?
C25 C26 C21 121.19(15) . . ?
C25 C26 H26A 119.4 . . ?
C21 C26 H26A 119.4 . . ?

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
C7 N1 C1 N2 0.55(16) . . . . ?
C7 N1 C1 C2 -179.49(15) . . . . ?
C5 N2 C1 N1 179.42(13) . . . . ?
C6 N2 C1 N1 -0.81(16) . . . . ?
C5 N2 C1 C2 -0.5(2) . . . . ?
C6 N2 C1 C2 179.23(13) . . . . ?
N1 C1 C2 C3 -179.11(15) . . . . ?
N2 C1 C2 C3 0.8(2) . . . . ?
C1 C2 C3 C4 -0.6(2) . . . . ?
C2 C3 C4 C5 0.1(2) . . . . ?
C3 C4 C5 N2 0.2(2) . . . . ?
C1 N2 C5 C4 0.0(2) . . . . ?
C6 N2 C5 C4 -179.72(15) . . . . ?
O1 N3 C6 N2 -3.7(2) . . . . ?
O1 N3 C6 C7 179.41(14) . . . . ?
C5 N2 C6 N3 3.1(3) . . . . ?
C1 N2 C6 N3 -176.67(15) . . . . ?
C5 N2 C6 C7 -179.54(14) . . . . ?
C1 N2 C6 C7 0.71(15) . . . . ?
C1 N1 C7 C6 -0.06(16) . . . . ?
C1 N1 C7 C8 -179.67(13) . . . . ?
N3 C6 C7 N1 177.04(14) . . . . ?
N2 C6 C7 N1 -0.41(16) . . . . ?
N3 C6 C7 C8 -3.4(2) . . . . ?
N2 C6 C7 C8 179.16(14) . . . . ?
N1 C7 C8 C13 -19.0(2) . . . . ?
C6 C7 C8 C13 161.43(15) . . . . ?
N1 C7 C8 C9 159.27(14) . . . . ?
C6 C7 C8 C9 -20.3(2) . . . . ?
C13 C8 C9 C10 0.1(2) . . . . ?
C7 C8 C9 C10 -178.20(14) . . . . ?
C8 C9 C10 C11 0.1(3) . . . . ?
C9 C10 C11 C12 -0.2(3) . . . . ?
C10 C11 C12 C13 0.3(3) . . . . ?
C9 C8 C13 C12 0.0(2) . . . . ?
C7 C8 C13 C12 178.32(15) . . . . ?
C11 C12 C13 C8 -0.1(3) . . . . ?
C20 N4 C14 N5 0.61(16) . . . . ?
C20 N4 C14 C15 -178.84(15) . . . . ?
C18 N5 C14 N4 178.76(13) . . . . ?
C19 N5 C14 N4 -0.72(16) . . . . ?
C18 N5 C14 C15 -1.7(2) . . . . ?
C19 N5 C14 C15 178.78(13) . . . . ?
N4 C14 C15 C16 180.00(14) . . . . ?
N5 C14 C15 C16 0.6(2) . . . . ?
C14 C15 C16 C17 0.6(2) . . . . ?
C15 C16 C17 C18 -0.7(2) . . . . ?
C16 C17 C18 N5 -0.4(2) . . . . ?
C14 N5 C18 C17 1.6(2) . . . . ?
C19 N5 C18 C17 -179.06(15) . . . . ?
O2 N6 C19 N5 0.1(2) . . . . ?
O2 N6 C19 C20 178.63(14) . . . . ?
C14 N5 C19 N6 179.33(15) . . . . ?
C18 N5 C19 N6 -0.1(3) . . . . ?
C14 N5 C19 C20 0.52(15) . . . . ?
C18 N5 C19 C20 -178.89(14) . . . . ?
C14 N4 C20 C19 -0.25(16) . . . . ?
C14 N4 C20 C21 -178.81(12) . . . . ?
N6 C19 C20 N4 -179.01(14) . . . . ?
N5 C19 C20 N4 -0.17(16) . . . . ?
N6 C19 C20 C21 -0.6(3) . . . . ?
N5 C19 C20 C21 178.23(13) . . . . ?
N4 C20 C21 C22 -176.60(14) . . . . ?
C19 C20 C21 C22 5.1(2) . . . . ?
N4 C20 C21 C26 5.0(2) . . . . ?
C19 C20 C21 C26 -173.26(15) . . . . ?
C26 C21 C22 C23 -0.6(2) . . . . ?
C20 C21 C22 C23 -179.03(14) . . . . ?
C21 C22 C23 C24 0.7(2) . . . . ?
C22 C23 C24 C25 0.0(3) . . . . ?
C23 C24 C25 C26 -0.7(2) . . . . ?
C24 C25 C26 C21 0.7(2) . . . . ?
C22 C21 C26 C25 0.0(2) . . . . ?
C20 C21 C26 C25 178.44(14) . . . . ?

_refine_diff_density_max         0.219
_refine_diff_density_min         -0.188
_refine_diff_density_rms         0.046

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_h-m   P2(1)/n
_symmetry_int_tables_number      ?
_chemical_absolute_configuration ?

