#------------------------------------------------------------------------------
#$Date: 2017-09-20 12:44:03 +0300 (Wed, 20 Sep 2017) $
#$Revision: 201079 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/72/1547260.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1547260
loop_
_publ_author_name
'Manuel Velazquez-Ponce'
'Hector Salgado-Zamora'
'Hugo A Jimenez-Vazquez'
'Maria Elena Campos-Aldrete'
'Rogelio Jimenez'
'Humberto Cervantes'
'Taibi Ben Hadda'
_publ_section_title
;
 Intramolecular H-bonding interaction in angular 3-pi-EWG substituted
 imidazo[1,2-a]pyridines contributes to conformational preference
;
_journal_name_full               'Chemistry Central Journal'
_journal_page_first              20
_journal_paper_doi               10.1186/1752-153X-7-20
_journal_volume                  7
_journal_year                    2013
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C13 H9 N3 O1'
_chemical_formula_sum            'C13 H9 N3 O'
_chemical_formula_weight         223.23
_chemical_name_systematic
;
 3-nitroso-2-phenylimidazo[1,2-a]pyridine
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2012-09-11T12:55:31-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 100.433(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.8388(3)
_cell_length_b                   8.8885(3)
_cell_length_c                   22.1827(7)
_cell_measurement_reflns_used    6974
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      32.3166
_cell_measurement_theta_min      2.4701
_cell_measurement_wavelength     0.71073
_cell_volume                     2101.76(12)
_computing_cell_refinement
;
        CrysAlis RED, Oxford Diffraction Ltd.,
        Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
        (compiled Jun 10 2008,16:49:55)
;
_computing_data_collection
;
        CrysAlis CCD, Oxford Diffraction Ltd.,
        Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
        (compiled Jun 10 2008,16:49:55)
;
_computing_data_reduction
;
        CrysAlis RED, Oxford Diffraction Ltd.,
        Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
        (compiled Jun 10 2008,16:49:55)
;
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      291(2)
_diffrn_detector                 CCD
_diffrn_detector_area_resol_mean 16.2257
_diffrn_measured_fraction_theta_full 0.956
_diffrn_measured_fraction_theta_max 0.855
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur S'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_orient_matrix_UB_11      -0.019058656
_diffrn_orient_matrix_UB_12      -0.0039820177
_diffrn_orient_matrix_UB_13      -0.0322599203
_diffrn_orient_matrix_UB_21      0.0039596999
_diffrn_orient_matrix_UB_22      -0.0796071429
_diffrn_orient_matrix_UB_23      0.001449501
_diffrn_orient_matrix_UB_31      -0.0636228578
_diffrn_orient_matrix_UB_32      -0.0036937555
_diffrn_orient_matrix_UB_33      0.0035973288
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0213
_diffrn_reflns_av_unetI/netI     0.0293
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            16558
_diffrn_reflns_theta_full        27
_diffrn_reflns_theta_max         32.39
_diffrn_reflns_theta_min         2.47
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_interval_count 50
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.094
_exptl_absorpt_correction_T_max  0.9797
_exptl_absorpt_correction_T_min  0.9359
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
        CrysAlis RED, Oxford Diffraction Ltd.,
        Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
        (compiled Jun 10 2008,16:49:55)
        Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.411
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             928
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.188
_refine_diff_density_min         -0.164
_refine_diff_density_rms         0.033
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.125
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         6450
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.125
_refine_ls_R_factor_all          0.1249
_refine_ls_R_factor_gt           0.0754
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0333P)²+0.8360P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.134
_refine_ls_wR_factor_ref         0.1481
_reflns_number_gt                4149
_reflns_number_total             6450
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            13065_2012_625_MOESM1_ESM.cif
_cod_data_source_block           0003-hjsza
_cod_original_cell_volume        2101.76(11)
_cod_database_code               1547260
loop_
_symmetry_equiv_pos_as_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'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.54461(16) 0.9494(2) 0.16327(8) 0.0434(4) Uani 1 1 d . . .
C2 C 0.6471(2) 0.9092(3) 0.20752(10) 0.0603(5) Uani 1 1 d . . .
C3 C 0.6686(2) 0.9824(3) 0.26395(10) 0.0689(6) Uani 1 1 d . . .
C4 C 0.5913(2) 1.0940(3) 0.27679(10) 0.0618(6) Uani 1 1 d . . .
C5 C 0.4913(2) 1.1353(3) 0.23319(11) 0.0694(6) Uani 1 1 d . . .
C6 C 0.46748(19) 1.0629(3) 0.17709(10) 0.0593(5) Uani 1 1 d . . .
C7 C 0.51697(16) 0.8796(2) 0.10209(8) 0.0422(4) Uani 1 1 d . . .
C8 C 0.58693(16) 0.7707(2) 0.07598(8) 0.0451(4) Uani 1 1 d . . .
C9 C 0.41616(16) 0.8411(2) 0.01042(8) 0.0441(4) Uani 1 1 d . . .
C10 C 0.32913(19) 0.8417(2) -0.04426(9) 0.0528(5) Uani 1 1 d . . .
C11 C 0.3501(2) 0.7508(3) -0.09067(10) 0.0626(6) Uani 1 1 d . . .
C12 C 0.4570(2) 0.6600(3) -0.08400(10) 0.0648(6) Uani 1 1 d . . .
C13 C 0.5416(2) 0.6582(2) -0.03090(10) 0.0560(5) Uani 1 1 d . . .
N1 N 0.41475(13) 0.92155(17) 0.06201(7) 0.0454(4) Uani 1 1 d . . .
N2 N 0.51937(14) 0.74841(17) 0.01613(7) 0.0456(4) Uani 1 1 d . . .
N3 N 0.69437(15) 0.7051(2) 0.10288(8) 0.0587(4) Uani 1 1 d . . .
O1 O 0.74307(14) 0.61236(18) 0.07118(8) 0.0741(5) Uani 1 1 d . . .
H2 H 0.697(2) 0.832(3) 0.1986(10) 0.072(7) Uiso 1 1 d . . .
H3 H 0.744(2) 0.951(3) 0.2924(11) 0.082(7) Uiso 1 1 d . . .
H4 H 0.6077(19) 1.144(2) 0.3174(10) 0.067(6) Uiso 1 1 d . . .
H5 H 0.439(3) 1.214(3) 0.2410(12) 0.104(10) Uiso 1 1 d . . .
H6 H 0.399(2) 1.095(3) 0.1470(10) 0.074(7) Uiso 1 1 d . . .
H10 H 0.2591(18) 0.907(2) -0.0469(8) 0.050(5) Uiso 1 1 d . . .
H11 H 0.2910(18) 0.751(2) -0.1286(9) 0.060(6) Uiso 1 1 d . . .
H12 H 0.472(2) 0.597(3) -0.1151(10) 0.066(6) Uiso 1 1 d . . .
H13 H 0.6172(19) 0.601(2) -0.0229(9) 0.054(6) Uiso 1 1 d . . .
C14 C 0.05382(18) 0.9296(2) 0.15583(8) 0.0483(4) Uani 1 1 d . . .
C15 C 0.1718(2) 0.9295(3) 0.19307(10) 0.0611(6) Uani 1 1 d . . .
C16 C 0.1900(3) 1.0014(3) 0.24950(11) 0.0755(7) Uani 1 1 d . . .
C17 C 0.0928(3) 1.0721(3) 0.26950(12) 0.0790(7) Uani 1 1 d . . .
C18 C -0.0236(3) 1.0720(3) 0.23313(12) 0.0806(7) Uani 1 1 d . . .
C19 C -0.0434(2) 1.0007(3) 0.17670(10) 0.0624(6) Uani 1 1 d . . .
C20 C 0.02942(16) 0.8598(2) 0.09473(8) 0.0439(4) Uani 1 1 d . . .
C21 C 0.10204(16) 0.7526(2) 0.06953(8) 0.0461(4) Uani 1 1 d . . .
C22 C -0.06912(16) 0.8166(2) 0.00289(8) 0.0448(4) Uani 1 1 d . . .
C23 C -0.1542(2) 0.8148(2) -0.05227(9) 0.0538(5) Uani 1 1 d . . .
C24 C -0.1302(2) 0.7252(3) -0.09848(10) 0.0637(6) Uani 1 1 d . . .
C25 C -0.0216(2) 0.6365(3) -0.09047(10) 0.0633(6) Uani 1 1 d . . .
C26 C 0.0611(2) 0.6365(2) -0.03685(10) 0.0561(5) Uani 1 1 d . . .
N4 N -0.07334(14) 0.89772(17) 0.05407(7) 0.0466(4) Uani 1 1 d . . .
N5 N 0.03673(13) 0.72740(17) 0.00955(7) 0.0452(4) Uani 1 1 d . . .
N6 N 0.20815(15) 0.6863(2) 0.09846(8) 0.0583(4) Uani 1 1 d . . .
O2 O 0.26012(14) 0.59444(18) 0.06780(8) 0.0737(5) Uani 1 1 d . . .
H15 H 0.238(2) 0.882(3) 0.1790(10) 0.073(7) Uiso 1 1 d . . .
H16 H 0.273(2) 1.002(3) 0.2747(11) 0.085(8) Uiso 1 1 d . . .
H17 H 0.107(2) 1.122(3) 0.3103(12) 0.092(8) Uiso 1 1 d . . .
H18 H -0.093(3) 1.118(3) 0.2460(12) 0.096(9) Uiso 1 1 d . . .
H19 H -0.126(2) 1.002(2) 0.1528(10) 0.067(6) Uiso 1 1 d . . .
H23 H -0.2276(19) 0.879(2) -0.0547(9) 0.057(6) Uiso 1 1 d . . .
H24 H -0.191(2) 0.722(3) -0.1371(10) 0.067(6) Uiso 1 1 d . . .
H25 H -0.0082(19) 0.573(2) -0.1223(10) 0.064(6) Uiso 1 1 d . . .
H26 H 0.1365(18) 0.580(2) -0.0268(8) 0.050(5) Uiso 1 1 d . . .
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 0 '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 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C6 C1 C2 118.04(19) . .
C6 C1 C7 118.83(16) . .
C2 C1 C7 123.10(18) . .
C1 C2 C3 119.8(2) . .
C1 C2 H2 118.0(14) . .
C3 C2 H2 122.2(14) . .
C4 C3 C2 121.3(2) . .
C4 C3 H3 123.2(14) . .
C2 C3 H3 115.5(14) . .
C3 C4 C5 119.2(2) . .
C3 C4 H4 120.2(13) . .
C5 C4 H4 120.6(13) . .
C4 C5 C6 120.5(2) . .
C4 C5 H5 120.1(17) . .
C6 C5 H5 119.4(17) . .
C1 C6 C5 121.2(2) . .
C1 C6 H6 119.6(14) . .
C5 C6 H6 119.2(14) . .
N1 C7 C8 110.97(15) . .
N1 C7 C1 119.97(16) . .
C8 C7 C1 129.04(16) . .
N3 C8 N2 128.24(17) . .
N3 C8 C7 126.93(17) . .
N2 C8 C7 104.82(15) . .
N1 C9 N2 111.86(15) . .
N1 C9 C10 128.65(18) . .
N2 C9 C10 119.49(17) . .
C11 C10 C9 118.5(2) . .
C11 C10 H10 124.0(11) . .
C9 C10 H10 117.5(11) . .
C10 C11 C12 120.8(2) . .
C10 C11 H11 119.0(12) . .
C12 C11 H11 120.2(12) . .
C13 C12 C11 121.1(2) . .
C13 C12 H12 117.1(14) . .
C11 C12 H12 121.8(14) . .
C12 C13 N2 118.0(2) . .
C12 C13 H13 126.3(12) . .
N2 C13 H13 115.7(12) . .
C7 N1 C9 106.23(15) . .
C13 N2 C9 122.12(16) . .
C13 N2 C8 131.77(17) . .
C9 N2 C8 106.11(15) . .
O1 N3 C8 116.98(17) . .
C19 C14 C15 118.5(2) . .
C19 C14 C20 118.83(17) . .
C15 C14 C20 122.67(19) . .
C16 C15 C14 120.1(2) . .
C16 C15 H15 121.3(14) . .
C14 C15 H15 118.6(14) . .
C17 C16 C15 120.8(2) . .
C17 C16 H16 119.9(15) . .
C15 C16 H16 119.3(15) . .
C16 C17 C18 119.4(2) . .
C16 C17 H17 119.8(15) . .
C18 C17 H17 120.9(15) . .
C17 C18 C19 120.6(3) . .
C17 C18 H18 121.3(17) . .
C19 C18 H18 118.1(17) . .
C14 C19 C18 120.7(2) . .
C14 C19 H19 120.9(13) . .
C18 C19 H19 118.3(13) . .
N4 C20 C21 110.93(16) . .
N4 C20 C14 120.12(17) . .
C21 C20 C14 128.95(17) . .
N6 C21 N5 128.39(18) . .
N6 C21 C20 126.49(18) . .
N5 C21 C20 105.08(15) . .
N4 C22 N5 111.73(15) . .
N4 C22 C23 128.74(18) . .
N5 C22 C23 119.53(17) . .
C24 C23 C22 118.8(2) . .
C24 C23 H23 124.6(12) . .
C22 C23 H23 116.6(12) . .
C23 C24 C25 120.4(2) . .
C23 C24 H24 119.0(13) . .
C25 C24 H24 120.6(13) . .
C26 C25 C24 121.2(2) . .
C26 C25 H25 119.7(13) . .
C24 C25 H25 119.0(13) . .
C25 C26 N5 118.2(2) . .
C25 C26 H26 127.5(12) . .
N5 C26 H26 114.3(12) . .
C20 N4 C22 106.24(15) . .
C26 N5 C22 121.83(17) . .
C26 N5 C21 132.15(17) . .
C22 N5 C21 106.01(15) . .
O2 N6 C21 116.94(18) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C6 1.380(3) .
C1 C2 1.389(3) .
C1 C7 1.473(2) .
C2 C3 1.393(3) .
C2 H2 0.92(2) .
C3 C4 1.361(3) .
C3 H3 0.98(2) .
C4 C5 1.366(3) .
C4 H4 0.99(2) .
C5 C6 1.383(3) .
C5 H5 0.94(3) .
C6 H6 0.95(2) .
C7 N1 1.342(2) .
C7 C8 1.417(3) .
C8 N3 1.342(2) .
C8 N2 1.409(2) .
C9 N1 1.352(2) .
C9 N2 1.377(2) .
C9 C10 1.395(3) .
C10 C11 1.360(3) .
C10 H10 0.950(19) .
C11 C12 1.397(3) .
C11 H11 0.96(2) .
C12 C13 1.355(3) .
C12 H12 0.93(2) .
C13 N2 1.371(2) .
C13 H13 0.95(2) .
N3 O1 1.260(2) .
C14 C19 1.379(3) .
C14 C15 1.391(3) .
C14 C20 1.470(3) .
C15 C16 1.387(3) .
C15 H15 0.93(2) .
C16 C17 1.368(4) .
C16 H16 0.97(2) .
C17 C18 1.369(4) .
C17 H17 1.00(3) .
C18 C19 1.384(3) .
C18 H18 0.94(3) .
C19 H19 0.95(2) .
C20 N4 1.343(2) .
C20 C21 1.414(3) .
C21 N6 1.347(2) .
C21 N5 1.407(2) .
C22 N4 1.353(2) .
C22 N5 1.380(2) .
C22 C23 1.393(3) .
C23 C24 1.360(3) .
C23 H23 0.97(2) .
C24 C25 1.401(3) .
C24 H24 0.98(2) .
C25 C26 1.353(3) .
C25 H25 0.94(2) .
C26 N5 1.371(2) .
C26 H26 0.952(19) .
N6 O2 1.259(2) .
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
C13 H13 O1 0.95(2) 2.280(19) 2.876(3) 119.9(15) .
C26 H26 O2 0.952(19) 2.280(19) 2.893(3) 121.4(15) .
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
C6 C1 C2 C3 0.6(3) . . . .
C7 C1 C2 C3 178.70(19) . . . .
C1 C2 C3 C4 -0.4(4) . . . .
C2 C3 C4 C5 -0.5(4) . . . .
C3 C4 C5 C6 1.2(4) . . . .
C2 C1 C6 C5 0.2(3) . . . .
C7 C1 C6 C5 -178.0(2) . . . .
C4 C5 C6 C1 -1.1(4) . . . .
C6 C1 C7 N1 -3.3(3) . . . .
C2 C1 C7 N1 178.57(18) . . . .
C6 C1 C7 C8 174.74(19) . . . .
C2 C1 C7 C8 -3.4(3) . . . .
N1 C7 C8 N3 179.54(18) . . . .
C1 C7 C8 N3 1.4(3) . . . .
N1 C7 C8 N2 0.00(19) . . . .
C1 C7 C8 N2 -178.17(16) . . . .
N1 C9 C10 C11 179.82(18) . . . .
N2 C9 C10 C11 -0.6(3) . . . .
C9 C10 C11 C12 -0.6(3) . . . .
C10 C11 C12 C13 1.0(3) . . . .
C11 C12 C13 N2 -0.1(3) . . . .
C8 C7 N1 C9 0.48(19) . . . .
C1 C7 N1 C9 178.85(15) . . . .
N2 C9 N1 C7 -0.81(19) . . . .
C10 C9 N1 C7 178.76(18) . . . .
C12 C13 N2 C9 -1.2(3) . . . .
C12 C13 N2 C8 179.28(19) . . . .
N1 C9 N2 C13 -178.84(16) . . . .
C10 C9 N2 C13 1.5(3) . . . .
N1 C9 N2 C8 0.82(19) . . . .
C10 C9 N2 C8 -178.80(16) . . . .
N3 C8 N2 C13 -0.4(3) . . . .
C7 C8 N2 C13 179.13(18) . . . .
N3 C8 N2 C9 179.99(18) . . . .
C7 C8 N2 C9 -0.48(18) . . . .
N2 C8 N3 O1 0.6(3) . . . .
C7 C8 N3 O1 -178.80(18) . . . .
C19 C14 C15 C16 -0.7(3) . . . .
C20 C14 C15 C16 177.9(2) . . . .
C14 C15 C16 C17 0.5(4) . . . .
C15 C16 C17 C18 -0.2(4) . . . .
C16 C17 C18 C19 0.3(4) . . . .
C15 C14 C19 C18 0.8(3) . . . .
C20 C14 C19 C18 -177.9(2) . . . .
C17 C18 C19 C14 -0.5(4) . . . .
C19 C14 C20 N4 17.4(3) . . . .
C15 C14 C20 N4 -161.23(18) . . . .
C19 C14 C20 C21 -163.30(19) . . . .
C15 C14 C20 C21 18.0(3) . . . .
N4 C20 C21 N6 -177.35(17) . . . .
C14 C20 C21 N6 3.3(3) . . . .
N4 C20 C21 N5 0.46(19) . . . .
C14 C20 C21 N5 -178.86(17) . . . .
N4 C22 C23 C24 179.06(19) . . . .
N5 C22 C23 C24 -0.4(3) . . . .
C22 C23 C24 C25 0.0(3) . . . .
C23 C24 C25 C26 0.6(3) . . . .
C24 C25 C26 N5 -0.8(3) . . . .
C21 C20 N4 C22 0.21(19) . . . .
C14 C20 N4 C22 179.60(15) . . . .
N5 C22 N4 C20 -0.84(19) . . . .
C23 C22 N4 C20 179.70(19) . . . .
C25 C26 N5 C22 0.4(3) . . . .
C25 C26 N5 C21 179.78(19) . . . .
N4 C22 N5 C26 -179.38(16) . . . .
C23 C22 N5 C26 0.1(3) . . . .
N4 C22 N5 C21 1.12(19) . . . .
C23 C22 N5 C21 -179.36(16) . . . .
N6 C21 N5 C26 -2.6(3) . . . .
C20 C21 N5 C26 179.65(18) . . . .
N6 C21 N5 C22 176.83(18) . . . .
C20 C21 N5 C22 -0.92(18) . . . .
N5 C21 N6 O2 3.4(3) . . . .
C20 C21 N6 O2 -179.27(17) . . . .
