#------------------------------------------------------------------------------
#$Date: 2023-03-10 11:23:37 +0200 (Fri, 10 Mar 2023) $
#$Revision: 281802 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/69/8106910.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_8106910
loop_
_publ_author_name
'Zhang, Dong-Mei'
'Zhou, Ting-Ting'
'Li, Jia-Wen'
'Zhang, Fan'
_publ_section_title
;
 Crystal structure of 2-methoxy-6-(((2-(1-methyl-1H-benzo[d]
 imidazol-2-yl)phenyl)imino)methyl)phenol --- ethanol (1/1), C24H25N3O3
;
_journal_issue                   2
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              469
_journal_page_last               471
_journal_paper_doi               10.1515/ncrs-2015-0143
_journal_volume                  231
_journal_year                    2016
_chemical_formula_moiety         'C22 H19 N3 O2, C2 H6 O'
_chemical_formula_sum            'C24 H25 N3 O3'
_chemical_formula_weight         403.47
_chemical_name_systematic
;
2-methoxy-6-(((2-(1-methyl-1H-benzo[d] imidazol-2-yl)phenyl)
imino)methyl)phenol - ethanol (1/1)
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 116.990(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.2246(7)
_cell_length_b                   21.2529(7)
_cell_length_c                   10.6924(6)
_cell_measurement_reflns_used    1919
_cell_measurement_temperature    102.0
_cell_measurement_theta_max      29.5717
_cell_measurement_theta_min      3.5767
_cell_volume                     2070.4(2)
_computing_cell_refinement       'CrysAlisPro [8]'
_computing_data_collection       'CrysAlisPro [8]'
_computing_data_reduction        'CrysAlisPro [8]'
_computing_molecular_graphics    'Diamond 3.2i [10]'
_computing_publication_material  'OLEX2 1.1   [11]'
_computing_structure_refinement  'SHELXL-2013 [9]'
_computing_structure_solution    'SHELXS-2013 [9]'
_diffrn_ambient_temperature      102.0
_diffrn_detector_area_resol_mean 16.0971
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -48.00  -20.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       18.5772  -37.0000 -150.0000 28

#__ type_ start__ end____ width___ exp.time_
  2 omega    2.00   37.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       18.5772  -37.0000 -150.0000 35

#__ type_ start__ end____ width___ exp.time_
  3 omega  -36.00    4.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       18.5772  -77.0000 -180.0000 40

#__ type_ start__ end____ width___ exp.time_
  4 omega   14.00   45.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       18.5772  -77.0000 -180.0000 31

#__ type_ start__ end____ width___ exp.time_
  5 omega   -6.00   86.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       18.5772   77.0000  -30.0000 92
;
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0517455000
_diffrn_orient_matrix_UB_12      -0.0073930000
_diffrn_orient_matrix_UB_13      -0.0248585000
_diffrn_orient_matrix_UB_21      0.0161100000
_diffrn_orient_matrix_UB_22      0.0324555000
_diffrn_orient_matrix_UB_23      -0.0002387000
_diffrn_orient_matrix_UB_31      0.0559306000
_diffrn_orient_matrix_UB_32      -0.0025244000
_diffrn_orient_matrix_UB_33      0.0701423000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0428
_diffrn_reflns_av_unetI/netI     0.0635
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            9252
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.58
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.087
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.98403
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.294
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rhombic
_exptl_crystal_F_000             856
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.194
_refine_diff_density_min         -0.251
_refine_diff_density_rms         0.046
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     276
_refine_ls_number_reflns         4065
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0760
_refine_ls_R_factor_gt           0.0499
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0409P)²+0.2004P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1015
_refine_ls_wR_factor_ref         0.1155
_reflns_number_gt                2925
_reflns_number_total             4065
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            suppl_ncrs-2015-0143_suppl.cif
_cod_data_source_block           exp_3124
_cod_database_code               8106910
_reflns_odcompleteness_completeness 99.73
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 '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
O2 O 0.48328(15) 0.16694(6) 0.91019(13) 0.0269(3) Uani 1 1 d . . .
H2 H 0.5236 0.1438 0.9786 0.040 Uiso 1 1 calc R . .
N1 N 0.62210(16) 0.06954(7) 1.04996(15) 0.0206(4) Uani 1 1 d . . .
O3 O 0.23195(15) 0.07645(6) 1.11892(15) 0.0316(4) Uani 1 1 d . . .
H3A H 0.3106 0.0951 1.1493 0.047 Uiso 1 1 calc R . .
N3 N 0.72037(16) 0.18225(7) 1.34863(15) 0.0202(4) Uani 1 1 d . . .
O1 O 0.37895(16) 0.23309(6) 0.67914(14) 0.0363(4) Uani 1 1 d . . .
C15 C 0.63386(19) 0.05023(9) 0.94130(19) 0.0212(4) Uani 1 1 d . . .
H15 H 0.6834 0.0129 0.9464 0.025 Uiso 1 1 calc R . .
C17 C 0.5002(2) 0.14322(9) 0.80195(19) 0.0222(4) Uani 1 1 d . . .
C18 C 0.4434(2) 0.17714(9) 0.6758(2) 0.0247(4) Uani 1 1 d . . .
N2 N 0.49251(16) 0.14420(7) 1.22811(15) 0.0222(4) Uani 1 1 d . . .
C14 C 0.68558(19) 0.03560(9) 1.17788(19) 0.0199(4) Uani 1 1 d . . .
C21 C 0.5803(2) 0.06192(9) 0.69291(19) 0.0252(5) Uani 1 1 d . . .
H21 H 0.6266 0.0236 0.6984 0.030 Uiso 1 1 calc R . .
C13 C 0.73884(19) -0.02584(9) 1.1915(2) 0.0233(4) Uani 1 1 d . . .
H13 H 0.7302 -0.0474 1.1125 0.028 Uiso 1 1 calc R . .
C9 C 0.69660(19) 0.06705(8) 1.29739(19) 0.0205(4) Uani 1 1 d . . .
C19 C 0.4539(2) 0.15303(9) 0.5611(2) 0.0265(5) Uani 1 1 d . . .
H19 H 0.4159 0.1757 0.4777 0.032 Uiso 1 1 calc R . .
C16 C 0.57151(19) 0.08560(8) 0.81127(19) 0.0206(4) Uani 1 1 d . . .
C1 C 0.6259(2) 0.23255(9) 1.32768(18) 0.0211(4) Uani 1 1 d . . .
C8 C 0.6346(2) 0.13108(8) 1.28773(18) 0.0201(4) Uani 1 1 d . . .
C12 C 0.8041(2) -0.05490(9) 1.3209(2) 0.0249(5) Uani 1 1 d . . .
H12 H 0.8383 -0.0960 1.3285 0.030 Uiso 1 1 calc R . .
C10 C 0.7660(2) 0.03772(9) 1.4278(2) 0.0243(4) Uani 1 1 d . . .
H10 H 0.7772 0.0592 1.5078 0.029 Uiso 1 1 calc R . .
C11 C 0.8186(2) -0.02311(9) 1.4396(2) 0.0264(5) Uani 1 1 d . . .
H11 H 0.8636 -0.0426 1.5269 0.032 Uiso 1 1 calc R . .
C4 C 0.3858(2) 0.30843(9) 1.2603(2) 0.0278(5) Uani 1 1 d . . .
H4 H 0.3058 0.3347 1.2393 0.033 Uiso 1 1 calc R . .
C7 C 0.88042(19) 0.18426(9) 1.4214(2) 0.0254(5) Uani 1 1 d . . .
H7A H 0.9133 0.2258 1.4142 0.038 Uiso 1 1 calc R . .
H7B H 0.9193 0.1545 1.3793 0.038 Uiso 1 1 calc R . .
H7C H 0.9140 0.1738 1.5185 0.038 Uiso 1 1 calc R . .
C3 C 0.3622(2) 0.24634(9) 1.2184(2) 0.0253(5) Uani 1 1 d . . .
H3 H 0.2676 0.2305 1.1689 0.030 Uiso 1 1 calc R . .
C20 C 0.5208(2) 0.09489(9) 0.5688(2) 0.0273(5) Uani 1 1 d . . .
H20 H 0.5250 0.0785 0.4901 0.033 Uiso 1 1 calc R . .
C2 C 0.4844(2) 0.20810(9) 1.25261(19) 0.0209(4) Uani 1 1 d . . .
C5 C 0.5283(2) 0.33261(9) 1.3340(2) 0.0270(5) Uani 1 1 d . . .
H5 H 0.5406 0.3747 1.3604 0.032 Uiso 1 1 calc R . .
C6 C 0.6507(2) 0.29568(9) 1.3684(2) 0.0256(5) Uani 1 1 d . . .
H6 H 0.7451 0.3119 1.4164 0.031 Uiso 1 1 calc R . .
C23 C 0.1535(2) 0.09674(10) 1.1913(2) 0.0350(5) Uani 1 1 d . . .
H23A H 0.1234 0.1402 1.1672 0.042 Uiso 1 1 calc R . .
H23B H 0.2163 0.0945 1.2917 0.042 Uiso 1 1 calc R . .
C22 C 0.3192(3) 0.26955(10) 0.5536(2) 0.0450(6) Uani 1 1 d . . .
H22A H 0.2420 0.2463 0.4801 0.067 Uiso 1 1 calc R . .
H22B H 0.3949 0.2787 0.5266 0.067 Uiso 1 1 calc R . .
H22C H 0.2805 0.3082 0.5695 0.067 Uiso 1 1 calc R . .
C24 C 0.0218(3) 0.05648(12) 1.1532(3) 0.0512(7) Uani 1 1 d . . .
H24A H 0.0520 0.0138 1.1805 0.077 Uiso 1 1 calc R . .
H24B H -0.0395 0.0583 1.0537 0.077 Uiso 1 1 calc R . .
H24C H -0.0323 0.0713 1.2010 0.077 Uiso 1 1 calc R . .
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C17 O2 H2 109.5 . .
C15 N1 C14 121.29(16) . .
C23 O3 H3A 109.5 . .
C1 N3 C7 126.37(15) . .
C8 N3 C1 106.71(15) . .
C8 N3 C7 126.91(15) . .
C18 O1 C22 116.98(16) . .
N1 C15 H15 119.3 . .
N1 C15 C16 121.31(17) . .
C16 C15 H15 119.3 . .
O2 C17 C18 118.47(17) . .
O2 C17 C16 122.10(16) . .
C18 C17 C16 119.43(17) . .
O1 C18 C17 114.59(17) . .
O1 C18 C19 125.43(17) . .
C19 C18 C17 119.98(18) . .
C8 N2 C2 105.11(15) . .
C13 C14 N1 124.26(17) . .
C13 C14 C9 119.00(17) . .
C9 C14 N1 116.74(16) . .
C16 C21 H21 119.8 . .
C20 C21 H21 119.8 . .
C20 C21 C16 120.45(18) . .
C14 C13 H13 119.6 . .
C12 C13 C14 120.76(18) . .
C12 C13 H13 119.6 . .
C14 C9 C8 121.25(16) . .
C10 C9 C14 119.58(17) . .
C10 C9 C8 119.17(17) . .
C18 C19 H19 119.6 . .
C18 C19 C20 120.70(18) . .
C20 C19 H19 119.6 . .
C17 C16 C15 120.54(17) . .
C21 C16 C15 119.96(17) . .
C21 C16 C17 119.49(17) . .
N3 C1 C2 105.63(16) . .
N3 C1 C6 132.36(18) . .
C2 C1 C6 122.01(17) . .
N3 C8 C9 122.45(16) . .
N2 C8 N3 112.90(16) . .
N2 C8 C9 124.51(16) . .
C13 C12 H12 119.9 . .
C13 C12 C11 120.17(18) . .
C11 C12 H12 119.9 . .
C9 C10 H10 119.7 . .
C11 C10 C9 120.62(18) . .
C11 C10 H10 119.7 . .
C12 C11 H11 120.1 . .
C10 C11 C12 119.82(18) . .
C10 C11 H11 120.1 . .
C3 C4 H4 119.4 . .
C3 C4 C5 121.17(18) . .
C5 C4 H4 119.4 . .
N3 C7 H7A 109.5 . .
N3 C7 H7B 109.5 . .
N3 C7 H7C 109.5 . .
H7A C7 H7B 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C4 C3 H3 121.0 . .
C4 C3 C2 117.95(18) . .
C2 C3 H3 121.0 . .
C21 C20 C19 119.89(19) . .
C21 C20 H20 120.1 . .
C19 C20 H20 120.1 . .
N2 C2 C1 109.64(16) . .
N2 C2 C3 129.97(17) . .
C3 C2 C1 120.34(17) . .
C4 C5 H5 119.1 . .
C6 C5 C4 121.82(18) . .
C6 C5 H5 119.1 . .
C1 C6 H6 121.7 . .
C5 C6 C1 116.68(18) . .
C5 C6 H6 121.7 . .
O3 C23 H23A 109.6 . .
O3 C23 H23B 109.6 . .
O3 C23 C24 110.09(18) . .
H23A C23 H23B 108.2 . .
C24 C23 H23A 109.6 . .
C24 C23 H23B 109.6 . .
O1 C22 H22A 109.5 . .
O1 C22 H22B 109.5 . .
O1 C22 H22C 109.5 . .
H22A C22 H22B 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24B 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O2 H2 0.8200 .
O2 C17 1.344(2) .
N1 C15 1.288(2) .
N1 C14 1.416(2) .
O3 H3A 0.8200 .
O3 C23 1.411(2) .
N3 C1 1.389(2) .
N3 C8 1.363(2) .
N3 C7 1.459(2) .
O1 C18 1.368(2) .
O1 C22 1.425(2) .
C15 H15 0.9300 .
C15 C16 1.449(2) .
C17 C18 1.402(3) .
C17 C16 1.405(3) .
C18 C19 1.377(3) .
N2 C8 1.325(2) .
N2 C2 1.393(2) .
C14 C13 1.397(3) .
C14 C9 1.401(2) .
C21 H21 0.9300 .
C21 C16 1.402(2) .
C21 C20 1.374(3) .
C13 H13 0.9300 .
C13 C12 1.379(3) .
C9 C8 1.485(2) .
C9 C10 1.393(3) .
C19 H19 0.9300 .
C19 C20 1.397(3) .
C1 C2 1.398(3) .
C1 C6 1.398(2) .
C12 H12 0.9300 .
C12 C11 1.384(3) .
C10 H10 0.9300 .
C10 C11 1.384(3) .
C11 H11 0.9300 .
C4 H4 0.9300 .
C4 C3 1.379(3) .
C4 C5 1.402(3) .
C7 H7A 0.9600 .
C7 H7B 0.9600 .
C7 H7C 0.9600 .
C3 H3 0.9300 .
C3 C2 1.393(3) .
C20 H20 0.9300 .
C5 H5 0.9300 .
C5 C6 1.378(3) .
C6 H6 0.9300 .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C23 C24 1.488(3) .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
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
O2 H2 N1 0.82 1.84 2.5706(19) 147.4 .
O3 H3A N2 0.82 1.96 2.777(2) 175.8 .
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
O2 C17 C18 O1 1.8(3) . . . .
O2 C17 C18 C19 -177.49(17) . . . .
O2 C17 C16 C15 -1.9(3) . . . .
O2 C17 C16 C21 177.23(17) . . . .
N1 C15 C16 C17 2.0(3) . . . .
N1 C15 C16 C21 -177.07(17) . . . .
N1 C14 C13 C12 177.63(17) . . . .
N1 C14 C9 C8 4.3(3) . . . .
N1 C14 C9 C10 -176.10(16) . . . .
N3 C1 C2 N2 -0.1(2) . . . .
N3 C1 C2 C3 177.68(16) . . . .
N3 C1 C6 C5 -177.22(19) . . . .
O1 C18 C19 C20 -179.27(18) . . . .
C15 N1 C14 C13 -13.3(3) . . . .
C15 N1 C14 C9 165.66(16) . . . .
C17 C18 C19 C20 0.0(3) . . . .
C18 C17 C16 C15 178.73(16) . . . .
C18 C17 C16 C21 -2.2(3) . . . .
C18 C19 C20 C21 -1.6(3) . . . .
C14 N1 C15 C16 -178.73(15) . . . .
C14 C13 C12 C11 -0.5(3) . . . .
C14 C9 C8 N3 -115.1(2) . . . .
C14 C9 C8 N2 69.3(2) . . . .
C14 C9 C10 C11 -2.8(3) . . . .
C13 C14 C9 C8 -176.67(17) . . . .
C13 C14 C9 C10 2.9(3) . . . .
C13 C12 C11 C10 0.7(3) . . . .
C9 C14 C13 C12 -1.3(3) . . . .
C9 C10 C11 C12 0.9(3) . . . .
C16 C17 C18 O1 -178.76(16) . . . .
C16 C17 C18 C19 1.9(3) . . . .
C16 C21 C20 C19 1.4(3) . . . .
C1 N3 C8 N2 0.5(2) . . . .
C1 N3 C8 C9 -175.53(16) . . . .
C8 N3 C1 C2 -0.24(19) . . . .
C8 N3 C1 C6 178.71(19) . . . .
C8 N2 C2 C1 0.4(2) . . . .
C8 N2 C2 C3 -177.10(19) . . . .
C8 C9 C10 C11 176.82(17) . . . .
C10 C9 C8 N3 65.3(2) . . . .
C10 C9 C8 N2 -110.3(2) . . . .
C4 C3 C2 N2 177.56(18) . . . .
C4 C3 C2 C1 0.3(3) . . . .
C4 C5 C6 C1 -0.7(3) . . . .
C7 N3 C1 C2 179.52(16) . . . .
C7 N3 C1 C6 -1.5(3) . . . .
C7 N3 C8 N2 -179.24(16) . . . .
C7 N3 C8 C9 4.7(3) . . . .
C3 C4 C5 C6 -0.3(3) . . . .
C20 C21 C16 C15 179.62(17) . . . .
C20 C21 C16 C17 0.5(3) . . . .
C2 N2 C8 N3 -0.6(2) . . . .
C2 N2 C8 C9 175.39(17) . . . .
C2 C1 C6 C5 1.6(3) . . . .
C5 C4 C3 C2 0.5(3) . . . .
C6 C1 C2 N2 -179.18(16) . . . .
C6 C1 C2 C3 -1.4(3) . . . .
C22 O1 C18 C17 -179.99(18) . . . .
C22 O1 C18 C19 -0.7(3) . . . .
