#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/52/2225275.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2225275
loop_
_publ_author_name
'Xing, Zhi-Yong'
'Yu, De-Cheng'
'Li, Lai-Jun'
'Liu, Hai-Yan'
'Zhang, Jian-Fei'
_publ_section_title
;
 N'-[1-(4-Aminophenyl)ethyl]pyrazine-2-carbohydrazide
;
_journal_coeditor_code           HG2638
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o544
_journal_paper_doi               10.1107/S1600536810004083
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          'C13 H13 N5 O'
_chemical_formula_moiety         'C13 H13 N5 O'
_chemical_formula_sum            'C13 H13 N5 O'
_chemical_formula_weight         255.28
_chemical_name_systematic
;
N'-[1-(4-Aminophenyl)ethyl]pyrazine-2-carbohydrazide
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                106.971(10)
_cell_angle_beta                 98.499(4)
_cell_angle_gamma                90.174(14)
_cell_formula_units_Z            4
_cell_length_a                   6.9783(13)
_cell_length_b                   10.689(3)
_cell_length_c                   17.061(5)
_cell_measurement_reflns_used    2002
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.8
_cell_measurement_theta_min      2.5
_cell_volume                     1202.4(5)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC, 2005)'
_computing_data_collection       'CrystalClear (Rigaku/MSC, 2005)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2005)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  confocal
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0519
_diffrn_reflns_av_sigmaI/netI    0.0787
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            9090
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.99
_exptl_absorpt_coefficient_mu    0.096
_exptl_absorpt_correction_T_max  0.9962
_exptl_absorpt_correction_T_min  0.9905
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(REQAB; Jacobson, 1998)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.410
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             536
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.260
_refine_diff_density_min         -0.295
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     364
_refine_ls_number_reflns         4150
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.1047
_refine_ls_R_factor_gt           0.0691
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0724P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1445
_refine_ls_wR_factor_ref         0.1643
_reflns_number_gt                2832
_reflns_number_total             4150
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            hg2638.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1202.3(5)
_cod_database_code               2225275
_cod_database_fobs_code          2225275
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.8650(4) 0.1637(3) 0.24329(16) 0.0213(6) Uani d . 1 . .
C C2 0.8881(4) 0.0891(3) 0.16283(16) 0.0243(7) Uani d . 1 . .
H H2 0.9195 -0.0001 0.1527 0.029 Uiso calc R 1 . .
C C3 0.8657(4) 0.1438(3) 0.09828(17) 0.0220(6) Uani d . 1 . .
H H3 0.8823 0.0913 0.0445 0.026 Uiso calc R 1 . .
C C4 0.8193(4) 0.2747(3) 0.11007(16) 0.0197(6) Uani d . 1 . .
C C5 0.7963(4) 0.3486(3) 0.19089(16) 0.0220(6) Uani d . 1 . .
H H5 0.7631 0.4375 0.2009 0.026 Uiso calc R 1 . .
C C6 0.8207(4) 0.2952(3) 0.25550(17) 0.0239(7) Uani d . 1 . .
H H6 0.8074 0.3483 0.3096 0.029 Uiso calc R 1 . .
C C7 0.7939(4) 0.3348(3) 0.04141(16) 0.0217(6) Uani d . 1 . .
C C8 0.8024(4) 0.2514(3) -0.04611(16) 0.0289(7) Uani d . 1 . .
H H8A 0.7298 0.2917 -0.0854 0.043 Uiso calc R 1 . .
H H8B 0.7451 0.1638 -0.0546 0.043 Uiso calc R 1 . .
H H8C 0.9379 0.2447 -0.0552 0.043 Uiso calc R 1 . .
C C9 0.6961(4) 0.6487(3) 0.02186(16) 0.0217(6) Uani d . 1 . .
C C10 0.6788(4) 0.7066(3) -0.04848(16) 0.0203(6) Uani d . 1 . .
C C11 0.6397(4) 0.8372(3) -0.03596(17) 0.0238(7) Uani d . 1 . .
H H11 0.6214 0.8884 0.0179 0.029 Uiso calc R 1 . .
C C12 0.6529(4) 0.8158(3) -0.17048(17) 0.0268(7) Uani d . 1 . .
H H12 0.6445 0.8509 -0.2159 0.032 Uiso calc R 1 . .
C C13 0.6926(4) 0.6840(3) -0.18385(17) 0.0256(7) Uani d . 1 . .
H H13 0.7104 0.6328 -0.2378 0.031 Uiso calc R 1 . .
C C14 0.4201(4) 0.1709(3) 0.68980(17) 0.0227(6) Uani d . 1 . .
C C15 0.3869(4) 0.0943(3) 0.60680(17) 0.0256(7) Uani d . 1 . .
H H15 0.3857 0.0016 0.5936 0.031 Uiso calc R 1 . .
C C16 0.3557(4) 0.1525(3) 0.54366(17) 0.0249(7) Uani d . 1 . .
H H16 0.3359 0.0986 0.4877 0.030 Uiso calc R 1 . .
C C17 0.3526(4) 0.2884(3) 0.56009(16) 0.0221(6) Uani d . 1 . .
C C18 0.3846(4) 0.3637(3) 0.64354(17) 0.0246(7) Uani d . 1 . .
H H18 0.3836 0.4564 0.6569 0.029 Uiso calc R 1 . .
C C19 0.4175(4) 0.3068(3) 0.70710(17) 0.0250(7) Uani d . 1 . .
H H19 0.4386 0.3606 0.7631 0.030 Uiso calc R 1 . .
C C20 0.3116(4) 0.3502(3) 0.49280(16) 0.0222(6) Uani d . 1 . .
C C21 0.3380(4) 0.2769(3) 0.40568(17) 0.0299(7) Uani d . 1 . .
H H21A 0.2126 0.2644 0.3692 0.045 Uiso calc R 1 . .
H H21B 0.3896 0.1913 0.4046 0.045 Uiso calc R 1 . .
H H21C 0.4289 0.3271 0.3865 0.045 Uiso calc R 1 . .
C C22 0.1804(4) 0.6521(3) 0.46356(17) 0.0242(7) Uani d . 1 . .
C C23 0.1331(4) 0.6910(3) 0.38597(16) 0.0214(6) Uani d . 1 . .
C C24 0.1030(4) 0.8204(3) 0.38957(17) 0.0261(7) Uani d . 1 . .
H H24 0.1126 0.8839 0.4424 0.031 Uiso calc R 1 . .
C C25 0.0467(4) 0.7651(3) 0.24967(17) 0.0262(7) Uani d . 1 . .
H H25 0.0152 0.7878 0.1996 0.031 Uiso calc R 1 . .
C C26 0.0763(4) 0.6349(3) 0.24498(17) 0.0265(7) Uani d . 1 . .
H H26 0.0644 0.5714 0.1921 0.032 Uiso calc R 1 . .
N N1 0.8761(4) 0.1101(2) 0.30779(15) 0.0294(6) Uani d . 1 . .
H H1A 0.933(5) 0.036(3) 0.3056(18) 0.044 Uiso d . 1 . .
H H1B 0.861(4) 0.171(3) 0.361(2) 0.044 Uiso d . 1 . .
N N2 0.7625(3) 0.4591(2) 0.06300(13) 0.0228(5) Uani d . 1 . .
N N3 0.7388(3) 0.5209(2) 0.00192(14) 0.0224(6) Uani d . 1 . .
H H3A 0.742(4) 0.482(3) -0.0522(17) 0.027 Uiso d . 1 . .
N N4 0.7064(3) 0.6282(2) -0.12325(13) 0.0228(5) Uani d . 1 . .
N N5 0.6263(3) 0.8945(2) -0.09690(14) 0.0264(6) Uani d . 1 . .
N N6 0.4577(4) 0.1131(3) 0.75362(16) 0.0289(6) Uani d . 1 . .
H H6A 0.410(5) 0.029(3) 0.7404(18) 0.043 Uiso d . 1 . .
H H6B 0.433(4) 0.168(3) 0.8058(19) 0.043 Uiso d . 1 . .
N N7 0.2571(3) 0.4699(2) 0.51400(14) 0.0257(6) Uani d . 1 . .
N N8 0.2176(3) 0.5256(2) 0.44979(14) 0.0238(6) Uani d . 1 . .
H H8 0.198(4) 0.475(3) 0.3982(17) 0.029 Uiso d . 1 . .
N N9 0.1215(3) 0.5968(2) 0.31366(14) 0.0257(6) Uani d . 1 . .
N N10 0.0608(3) 0.8597(2) 0.32169(14) 0.0277(6) Uani d . 1 . .
O O1 0.6759(3) 0.71548(19) 0.09187(12) 0.0328(5) Uani d . 1 . .
O O2 0.1874(3) 0.73296(19) 0.53239(11) 0.0347(5) Uani d . 1 . .
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N1 C1 C6 . . 120.2(2) ?
N1 C1 C2 . . 122.1(3) ?
C6 C1 C2 . . 117.6(2) ?
C3 C2 C1 . . 120.8(3) ?
C3 C2 H2 . . 119.6 ?
C1 C2 H2 . . 119.6 ?
C2 C3 C4 . . 121.7(2) ?
C2 C3 H3 . . 119.1 ?
C4 C3 H3 . . 119.1 ?
C3 C4 C5 . . 117.1(2) ?
C3 C4 C7 . . 122.4(2) ?
C5 C4 C7 . . 120.5(2) ?
C6 C5 C4 . . 121.4(3) ?
C6 C5 H5 . . 119.3 ?
C4 C5 H5 . . 119.3 ?
C5 C6 C1 . . 121.3(3) ?
C5 C6 H6 . . 119.3 ?
C1 C6 H6 . . 119.3 ?
N2 C7 C4 . . 115.2(2) ?
N2 C7 C8 . . 125.0(2) ?
C4 C7 C8 . . 119.8(2) ?
C7 C8 H8A . . 109.5 ?
C7 C8 H8B . . 109.5 ?
H8A C8 H8B . . 109.5 ?
C7 C8 H8C . . 109.5 ?
H8A C8 H8C . . 109.5 ?
H8B C8 H8C . . 109.5 ?
O1 C9 N3 . . 124.3(3) ?
O1 C9 C10 . . 121.0(2) ?
N3 C9 C10 . . 114.7(2) ?
N4 C10 C11 . . 121.8(2) ?
N4 C10 C9 . . 117.7(2) ?
C11 C10 C9 . . 120.5(2) ?
N5 C11 C10 . . 122.7(3) ?
N5 C11 H11 . . 118.6 ?
C10 C11 H11 . . 118.6 ?
N5 C12 C13 . . 122.9(3) ?
N5 C12 H12 . . 118.5 ?
C13 C12 H12 . . 118.5 ?
N4 C13 C12 . . 121.9(3) ?
N4 C13 H13 . . 119.1 ?
C12 C13 H13 . . 119.1 ?
N6 C14 C19 . . 120.8(3) ?
N6 C14 C15 . . 120.9(3) ?
C19 C14 C15 . . 118.3(2) ?
C16 C15 C14 . . 120.6(3) ?
C16 C15 H15 . . 119.7 ?
C14 C15 H15 . . 119.7 ?
C15 C16 C17 . . 121.7(3) ?
C15 C16 H16 . . 119.1 ?
C17 C16 H16 . . 119.1 ?
C16 C17 C18 . . 117.0(2) ?
C16 C17 C20 . . 121.7(2) ?
C18 C17 C20 . . 121.3(3) ?
C19 C18 C17 . . 121.8(3) ?
C19 C18 H18 . . 119.1 ?
C17 C18 H18 . . 119.1 ?
C18 C19 C14 . . 120.6(3) ?
C18 C19 H19 . . 119.7 ?
C14 C19 H19 . . 119.7 ?
N7 C20 C17 . . 116.3(2) ?
N7 C20 C21 . . 123.2(2) ?
C17 C20 C21 . . 120.5(2) ?
C20 C21 H21A . . 109.5 ?
C20 C21 H21B . . 109.5 ?
H21A C21 H21B . . 109.5 ?
C20 C21 H21C . . 109.5 ?
H21A C21 H21C . . 109.5 ?
H21B C21 H21C . . 109.5 ?
O2 C22 N8 . . 125.4(3) ?
O2 C22 C23 . . 121.2(3) ?
N8 C22 C23 . . 113.5(2) ?
N9 C23 C24 . . 121.7(2) ?
N9 C23 C22 . . 117.6(2) ?
C24 C23 C22 . . 120.7(2) ?
N10 C24 C23 . . 122.7(3) ?
N10 C24 H24 . . 118.7 ?
C23 C24 H24 . . 118.7 ?
N10 C25 C26 . . 122.6(3) ?
N10 C25 H25 . . 118.7 ?
C26 C25 H25 . . 118.7 ?
N9 C26 C25 . . 121.5(2) ?
N9 C26 H26 . . 119.3 ?
C25 C26 H26 . . 119.3 ?
C1 N1 H1A . . 121(2) ?
C1 N1 H1B . . 114.9(18) ?
H1A N1 H1B . . 120(3) ?
C7 N2 N3 . . 117.9(2) ?
C9 N3 N2 . . 119.2(2) ?
C9 N3 H3A . . 115.6(17) ?
N2 N3 H3A . . 125.0(17) ?
C13 N4 C10 . . 115.8(2) ?
C12 N5 C11 . . 114.9(2) ?
C14 N6 H6A . . 114.6(19) ?
C14 N6 H6B . . 113.5(18) ?
H6A N6 H6B . . 114(3) ?
C20 N7 N8 . . 115.4(2) ?
C22 N8 N7 . . 121.9(2) ?
C22 N8 H8 . . 117.4(18) ?
N7 N8 H8 . . 119.9(18) ?
C23 N9 C26 . . 116.1(2) ?
C25 N10 C24 . . 115.4(2) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 N1 . 1.374(3) ?
C1 C6 . 1.402(4) ?
C1 C2 . 1.405(3) ?
C2 C3 . 1.380(4) ?
C2 H2 . 0.9500 ?
C3 C4 . 1.400(3) ?
C3 H3 . 0.9500 ?
C4 C5 . 1.408(4) ?
C4 C7 . 1.481(4) ?
C5 C6 . 1.372(4) ?
C5 H5 . 0.9500 ?
C6 H6 . 0.9500 ?
C7 N2 . 1.300(3) ?
C7 C8 . 1.509(4) ?
C8 H8A . 0.9800 ?
C8 H8B . 0.9800 ?
C8 H8C . 0.9800 ?
C9 O1 . 1.228(3) ?
C9 N3 . 1.353(3) ?
C9 C10 . 1.493(4) ?
C10 N4 . 1.348(3) ?
C10 C11 . 1.383(4) ?
C11 N5 . 1.345(3) ?
C11 H11 . 0.9500 ?
C12 N5 . 1.331(3) ?
C12 C13 . 1.395(4) ?
C12 H12 . 0.9500 ?
C13 N4 . 1.329(3) ?
C13 H13 . 0.9500 ?
C14 N6 . 1.394(4) ?
C14 C19 . 1.396(4) ?
C14 C15 . 1.398(4) ?
C15 C16 . 1.384(4) ?
C15 H15 . 0.9500 ?
C16 C17 . 1.398(4) ?
C16 H16 . 0.9500 ?
C17 C18 . 1.400(4) ?
C17 C20 . 1.477(4) ?
C18 C19 . 1.383(4) ?
C18 H18 . 0.9500 ?
C19 H19 . 0.9500 ?
C20 N7 . 1.298(3) ?
C20 C21 . 1.503(4) ?
C21 H21A . 0.9800 ?
C21 H21B . 0.9800 ?
C21 H21C . 0.9800 ?
C22 O2 . 1.232(3) ?
C22 N8 . 1.336(3) ?
C22 C23 . 1.493(4) ?
C23 N9 . 1.337(3) ?
C23 C24 . 1.385(4) ?
C24 N10 . 1.337(3) ?
C24 H24 . 0.9500 ?
C25 N10 . 1.334(3) ?
C25 C26 . 1.388(4) ?
C25 H25 . 0.9500 ?
C26 N9 . 1.345(3) ?
C26 H26 . 0.9500 ?
N1 H1A . 0.88(3) ?
N1 H1B . 0.97(3) ?
N2 N3 . 1.379(3) ?
N3 H3A . 0.90(3) ?
N6 H6A . 0.91(3) ?
N6 H6B . 0.95(3) ?
N7 N8 . 1.387(3) ?
N8 H8 . 0.88(3) ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
N1 H1A N10 1_645 0.88(3) 2.16(3) 3.030(4) 170(3)
N1 H1B O2 2_666 0.97(3) 1.89(3) 2.852(3) 171(3)
N6 H6A N1 2_656 0.91(3) 2.38(3) 3.162(4) 145(3)
N6 H6B O1 2_666 0.95(3) 2.07(3) 3.015(3) 169(3)
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
N1 C1 C2 C3 . . . . 176.4(2) ?
C6 C1 C2 C3 . . . . -0.7(4) ?
C1 C2 C3 C4 . . . . -0.1(4) ?
C2 C3 C4 C5 . . . . 0.1(4) ?
C2 C3 C4 C7 . . . . -179.7(2) ?
C3 C4 C5 C6 . . . . 0.8(4) ?
C7 C4 C5 C6 . . . . -179.4(2) ?
C4 C5 C6 C1 . . . . -1.6(4) ?
N1 C1 C6 C5 . . . . -175.7(2) ?
C2 C1 C6 C5 . . . . 1.5(4) ?
C3 C4 C7 N2 . . . . -176.1(2) ?
C5 C4 C7 N2 . . . . 4.2(3) ?
C3 C4 C7 C8 . . . . 4.9(4) ?
C5 C4 C7 C8 . . . . -174.9(2) ?
O1 C9 C10 N4 . . . . 178.8(2) ?
N3 C9 C10 N4 . . . . 0.1(3) ?
O1 C9 C10 C11 . . . . 0.0(4) ?
N3 C9 C10 C11 . . . . -178.6(2) ?
N4 C10 C11 N5 . . . . 0.0(4) ?
C9 C10 C11 N5 . . . . 178.7(2) ?
N5 C12 C13 N4 . . . . 0.1(4) ?
N6 C14 C15 C16 . . . . -178.0(2) ?
C19 C14 C15 C16 . . . . 1.1(4) ?
C14 C15 C16 C17 . . . . -1.2(4) ?
C15 C16 C17 C18 . . . . 0.7(4) ?
C15 C16 C17 C20 . . . . -177.5(2) ?
C16 C17 C18 C19 . . . . -0.1(4) ?
C20 C17 C18 C19 . . . . 178.1(2) ?
C17 C18 C19 C14 . . . . 0.1(4) ?
N6 C14 C19 C18 . . . . 178.5(2) ?
C15 C14 C19 C18 . . . . -0.6(4) ?
C16 C17 C20 N7 . . . . 160.7(2) ?
C18 C17 C20 N7 . . . . -17.4(4) ?
C16 C17 C20 C21 . . . . -20.8(4) ?
C18 C17 C20 C21 . . . . 161.1(3) ?
O2 C22 C23 N9 . . . . -177.7(2) ?
N8 C22 C23 N9 . . . . 4.0(3) ?
O2 C22 C23 C24 . . . . 2.5(4) ?
N8 C22 C23 C24 . . . . -175.9(2) ?
N9 C23 C24 N10 . . . . 0.0(4) ?
C22 C23 C24 N10 . . . . 179.8(2) ?
N10 C25 C26 N9 . . . . -0.1(4) ?
C4 C7 N2 N3 . . . . 179.6(2) ?
C8 C7 N2 N3 . . . . -1.4(4) ?
O1 C9 N3 N2 . . . . -0.1(4) ?
C10 C9 N3 N2 . . . . 178.5(2) ?
C7 N2 N3 C9 . . . . 176.7(2) ?
C12 C13 N4 C10 . . . . 0.2(4) ?
C11 C10 N4 C13 . . . . -0.3(4) ?
C9 C10 N4 C13 . . . . -179.0(2) ?
C13 C12 N5 C11 . . . . -0.3(4) ?
C10 C11 N5 C12 . . . . 0.3(4) ?
C17 C20 N7 N8 . . . . -179.4(2) ?
C21 C20 N7 N8 . . . . 2.1(4) ?
O2 C22 N8 N7 . . . . 4.3(4) ?
C23 C22 N8 N7 . . . . -177.4(2) ?
C20 N7 N8 C22 . . . . -172.7(2) ?
C24 C23 N9 C26 . . . . -0.9(4) ?
C22 C23 N9 C26 . . . . 179.2(2) ?
C25 C26 N9 C23 . . . . 1.0(4) ?
C26 C25 N10 C24 . . . . -0.9(4) ?
C23 C24 N10 C25 . . . . 0.9(4) ?
