#------------------------------------------------------------------------------
#$Date: 2022-07-07 01:25:08 +0300 (Thu, 07 Jul 2022) $
#$Revision: 276705 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/02/26/2022639.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_2022639
loop_
_publ_author_name
'OmarAli, Al-Ameen Bariz'
'Al-Karawi, Ahmed Jasim M.'
'Awad, Adil A.'
'Dege, Necmi'
'Kansız, Sevgi'
'Agar, Erbil'
'Hussein, Zaman Ahmed'
'Mohammed, Iman Rajab'
_publ_section_title
;
 Two new zinc(II) and mercury(II) complexes based on
 N,N'-(cyclohexane-1,2-diylidene)bis(4-fluorobenzohydrazide): synthesis,
 crystal structures and antibacterial activities
;
_journal_coden_ASTM              ACSCGG
_journal_coeditor_code           QF3037
_journal_issue                   5
_journal_name_full
;
 Acta Crystallographica, Section C: Structural Chemistry
;
_journal_page_first              476
_journal_page_last               482
_journal_paper_doi               10.1107/S2053229620004994
_journal_volume                  76
_journal_year                    2020
_chemical_formula_iupac          'C20 H18 F2 N4 O2, C1 H4 O1'
_chemical_formula_moiety         'C20 H18 F2 N4 O2, C1 H4 O1'
_chemical_formula_sum            'C21 H22 F2 N4 O3'
_chemical_formula_weight         416.42
_chemical_name_systematic
;
N,N'-(Cyclohexane-1,2-diylidene)bis(4-fluorobenzohydrazide)
methanol monosolvate
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.5679(3)
_cell_length_b                   15.2500(7)
_cell_length_c                   17.5264(7)
_cell_measurement_reflns_used    13218
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      31.00
_cell_measurement_theta_min      1.77
_cell_volume                     2022.73(15)
_computing_cell_refinement
;
X-AREA (Stoe & Cie, 2002)
;
_computing_data_collection
;
X-AREA (Stoe & Cie, 2002)
;
_computing_data_reduction
;
X-RED32 (Stoe & Cie, 2002)
;
_computing_molecular_graphics
;
PLATON (Spek, 2020) and ORTEP-3 for Windows (Farrugia, 2012)
;
_computing_publication_material
;
SHELXL2018 (Sheldrick, 2015b)
;
_computing_structure_refinement
;
SHELXL2018 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      296(2)
_diffrn_detector                 'image plate (34 cm diameter)'
_diffrn_detector_area_resol_mean 6.67
_diffrn_detector_type            STOE
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details      ' 310 frames, detector distance = 90 mm'
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'Stoe IPDS 2'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_collimation    '0.8 mm diameter, multiple pinhole'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_polarisn_norm  0
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0418
_diffrn_reflns_av_unetI/netI     0.0454
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            15870
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.547
_diffrn_reflns_theta_min         1.770
_diffrn_source
'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
_diffrn_source_current           45
_diffrn_source_power             2.25
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    0.106
_exptl_absorpt_correction_T_max  0.9624
_exptl_absorpt_correction_T_min  0.9259
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
(X-RED32; Stoe & Cie, 2002)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.367
_exptl_crystal_description       prism
_exptl_crystal_F_000             872
_exptl_crystal_size_max          0.790
_exptl_crystal_size_mid          0.550
_exptl_crystal_size_min          0.380
_refine_diff_density_max         0.126
_refine_diff_density_min         -0.111
_refine_diff_density_rms         0.028
_refine_ls_abs_structure_details
;
Flack x determined using 1095 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons et al.,  2013)
;
_refine_ls_abs_structure_Flack   0.3(5)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.964
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     284
_refine_ls_number_reflns         6161
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.964
_refine_ls_R_factor_all          0.0967
_refine_ls_R_factor_gt           0.0473
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0509P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0953
_refine_ls_wR_factor_ref         0.1110
_reflns_Friedel_coverage         0.770
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.993
_reflns_number_gt                3553
_reflns_number_total             6161
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            qf3037sup1_shelx.cif
_cod_data_source_block           shelx
_cod_database_code               2022639
_publcif_datablock.id            {a56bebec-7829-45b3-88da-c42723fcdf7b}
_shelx_shelxl_version_number     2018/3
_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, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, 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_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
F1 F 0.4528(3) 1.10675(12) 0.60787(11) 0.1035(7) Uani 1 1 d . . . . .
F2 F 0.2132(3) 0.39921(15) 0.70516(9) 0.0940(6) Uani 1 1 d . . . . .
O1 O 0.5341(4) 0.70430(13) 0.53813(10) 0.0830(7) Uani 1 1 d . . . . .
O2 O 0.4777(4) 0.36341(13) 0.36771(10) 0.0892(8) Uani 1 1 d . . . . .
O3 O 0.5958(3) 0.37338(14) 0.20009(11) 0.0703(6) Uani 1 1 d . . . . .
C21 C 0.7497(6) 0.3294(3) 0.2170(2) 0.0987(12) Uani 1 1 d . . . . .
H21A H 0.827747 0.367562 0.244577 0.148 Uiso 1 1 calc R U . . .
H21B H 0.805659 0.310958 0.170523 0.148 Uiso 1 1 calc R U . . .
H21C H 0.723055 0.278930 0.247671 0.148 Uiso 1 1 calc R U . . .
N2 N 0.5744(3) 0.67763(13) 0.38715(11) 0.0534(5) Uani 1 1 d . . . . .
N3 N 0.5911(3) 0.51341(12) 0.30988(10) 0.0498(5) Uani 1 1 d . . . . .
N4 N 0.5234(3) 0.50838(14) 0.38164(11) 0.0506(5) Uani 1 1 d . . . . .
N1 N 0.5658(3) 0.75956(15) 0.41977(12) 0.0583(6) Uani 1 1 d . . . . .
C4 C 0.5121(3) 0.85858(16) 0.52371(12) 0.0513(6) Uani 1 1 d . . . . .
C13 C 0.6506(3) 0.58657(16) 0.28352(12) 0.0492(5) Uani 1 1 d . . . . .
C7 C 0.5350(4) 0.76724(16) 0.49571(14) 0.0551(6) Uani 1 1 d . . . . .
C20 C 0.4054(4) 0.49610(18) 0.53713(14) 0.0596(7) Uani 1 1 d . . . . .
H20 H 0.451810 0.549547 0.521260 0.071 Uiso 1 1 calc R U . . .
C15 C 0.4015(3) 0.42542(17) 0.48752(13) 0.0523(6) Uani 1 1 d . . . . .
C14 C 0.4700(4) 0.42869(17) 0.40741(13) 0.0556(6) Uani 1 1 d . . . . .
C12 C 0.7263(4) 0.57862(19) 0.20362(15) 0.0668(7) Uani 1 1 d . . . . .
H12A H 0.838595 0.548106 0.206539 0.080 Uiso 1 1 calc R U . . .
H12B H 0.647050 0.543028 0.173088 0.080 Uiso 1 1 calc R U . . .
C3 C 0.4258(4) 0.92197(18) 0.48190(14) 0.0595(6) Uani 1 1 d . . . . .
H3 H 0.380437 0.908133 0.434073 0.071 Uiso 1 1 calc R U . . .
C8 C 0.6539(3) 0.67224(16) 0.32176(13) 0.0497(5) Uani 1 1 d . . . . .
C1 C 0.4732(4) 1.02404(19) 0.58029(16) 0.0663(8) Uani 1 1 d . . . . .
C19 C 0.3397(4) 0.48679(19) 0.61068(15) 0.0654(7) Uani 1 1 d . . . . .
H19 H 0.341261 0.533756 0.644520 0.078 Uiso 1 1 calc R U . . .
C6 C 0.5574(4) 0.9638(2) 0.62366(15) 0.0704(8) Uani 1 1 d . . . . .
H6 H 0.601161 0.978450 0.671570 0.085 Uiso 1 1 calc R U . . .
C11 C 0.7544(4) 0.66483(18) 0.16377(14) 0.0637(7) Uani 1 1 d . . . . .
H11A H 0.819733 0.655622 0.116840 0.076 Uiso 1 1 calc R U . . .
H11B H 0.641152 0.690762 0.150970 0.076 Uiso 1 1 calc R U . . .
C5 C 0.5766(4) 0.88046(19) 0.59531(14) 0.0647(7) Uani 1 1 d . . . . .
H5 H 0.633697 0.838109 0.624468 0.078 Uiso 1 1 calc R U . . .
C16 C 0.3321(4) 0.34702(19) 0.51202(15) 0.0649(7) Uani 1 1 d . . . . .
H16 H 0.329343 0.299550 0.478728 0.078 Uiso 1 1 calc R U . . .
C10 C 0.8552(4) 0.7251(2) 0.21512(16) 0.0691(8) Uani 1 1 d . . . . .
H10A H 0.885119 0.778288 0.187610 0.083 Uiso 1 1 calc R U . . .
H10B H 0.964379 0.697093 0.230779 0.083 Uiso 1 1 calc R U . . .
C9 C 0.7468(4) 0.74831(17) 0.28522(15) 0.0630(7) Uani 1 1 d . . . . .
H9A H 0.824373 0.774966 0.322699 0.076 Uiso 1 1 calc R U . . .
H9B H 0.659324 0.791780 0.270923 0.076 Uiso 1 1 calc R U . . .
C17 C 0.2660(4) 0.3372(2) 0.58539(16) 0.0702(8) Uani 1 1 d . . . . .
H17 H 0.218584 0.284189 0.601711 0.084 Uiso 1 1 calc R U . . .
C18 C 0.2729(4) 0.4077(2) 0.63241(14) 0.0653(7) Uani 1 1 d . . . . .
C2 C 0.4060(4) 1.00577(18) 0.51028(16) 0.0682(7) Uani 1 1 d . . . . .
H2 H 0.347961 1.048702 0.482120 0.082 Uiso 1 1 calc R U . . .
H4 H 0.515(4) 0.5565(19) 0.4053(15) 0.059(8) Uiso 1 1 d . . . . .
H1 H 0.569(4) 0.803(2) 0.3933(19) 0.080(10) Uiso 1 1 d . . . . .
H3A H 0.574(6) 0.406(3) 0.234(2) 0.122(16) 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 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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
_geom_angle_publ_flag
C21 O3 H3A 109(3) . . ?
O3 C21 H21A 109.5 . . ?
O3 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
O3 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C8 N2 N1 116.5(2) . . ?
C13 N3 N4 120.80(19) . . ?
C14 N4 N3 118.0(2) . . y
C14 N4 H4 126.3(18) . . ?
N3 N4 H4 115.7(18) . . ?
C7 N1 N2 119.6(2) . . y
C7 N1 H1 120(2) . . ?
N2 N1 H1 120(2) . . ?
C3 C4 C5 118.6(2) . . ?
C3 C4 C7 122.5(2) . . ?
C5 C4 C7 118.9(2) . . ?
N3 C13 C8 127.8(2) . . ?
N3 C13 C12 113.2(2) . . ?
C8 C13 C12 119.1(2) . . ?
O1 C7 N1 122.3(2) . . y
O1 C7 C4 122.5(2) . . ?
N1 C7 C4 115.1(2) . . y
C15 C20 C19 119.7(2) . . ?
C15 C20 H20 120.2 . . ?
C19 C20 H20 120.2 . . ?
C16 C15 C20 119.3(2) . . ?
C16 C15 C14 117.0(2) . . ?
C20 C15 C14 123.7(2) . . ?
O2 C14 N4 121.9(2) . . y
O2 C14 C15 121.7(2) . . ?
N4 C14 C15 116.4(2) . . y
C11 C12 C13 114.3(2) . . ?
C11 C12 H12A 108.7 . . ?
C13 C12 H12A 108.7 . . ?
C11 C12 H12B 108.7 . . ?
C13 C12 H12B 108.7 . . ?
H12A C12 H12B 107.6 . . ?
C4 C3 C2 120.6(2) . . ?
C4 C3 H3 119.7 . . ?
C2 C3 H3 119.7 . . ?
N2 C8 C13 116.9(2) . . ?
N2 C8 C9 123.1(2) . . ?
C13 C8 C9 120.1(2) . . ?
C6 C1 C2 123.1(3) . . ?
C6 C1 F1 119.0(3) . . ?
C2 C1 F1 118.0(3) . . ?
C18 C19 C20 118.9(3) . . ?
C18 C19 H19 120.6 . . ?
C20 C19 H19 120.6 . . ?
C1 C6 C5 118.4(2) . . ?
C1 C6 H6 120.8 . . ?
C5 C6 H6 120.8 . . ?
C10 C11 C12 109.3(2) . . ?
C10 C11 H11A 109.8 . . ?
C12 C11 H11A 109.8 . . ?
C10 C11 H11B 109.8 . . ?
C12 C11 H11B 109.8 . . ?
H11A C11 H11B 108.3 . . ?
C6 C5 C4 120.9(3) . . ?
C6 C5 H5 119.6 . . ?
C4 C5 H5 119.6 . . ?
C15 C16 C17 121.4(3) . . ?
C15 C16 H16 119.3 . . ?
C17 C16 H16 119.3 . . ?
C11 C10 C9 110.8(2) . . ?
C11 C10 H10A 109.5 . . ?
C9 C10 H10A 109.5 . . ?
C11 C10 H10B 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 108.1 . . ?
C8 C9 C10 114.7(2) . . ?
C8 C9 H9A 108.6 . . ?
C10 C9 H9A 108.6 . . ?
C8 C9 H9B 108.6 . . ?
C10 C9 H9B 108.6 . . ?
H9A C9 H9B 107.6 . . ?
C18 C17 C16 117.7(3) . . ?
C18 C17 H17 121.2 . . ?
C16 C17 H17 121.2 . . ?
C17 C18 F2 118.8(3) . . ?
C17 C18 C19 123.1(2) . . ?
F2 C18 C19 118.0(3) . . ?
C1 C2 C3 118.4(3) . . ?
C1 C2 H2 120.8 . . ?
C3 C2 H2 120.8 . . ?
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
F1 C1 1.360(3) . y
F2 C18 1.359(3) . y
O1 C7 1.214(3) . y
O2 C14 1.216(3) . y
O3 C21 1.377(4) . ?
O3 H3A 0.79(4) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
N2 C8 1.297(3) . y
N2 N1 1.376(3) . y
N3 C13 1.289(3) . y
N3 N4 1.360(3) . y
N4 C14 1.358(3) . y
N4 H4 0.85(3) . ?
N1 C7 1.356(3) . y
N1 H1 0.81(3) . ?
C4 C3 1.378(4) . ?
C4 C5 1.387(3) . ?
C4 C7 1.487(3) . y
C13 C8 1.469(3) . ?
C13 C12 1.518(3) . ?
C20 C15 1.385(4) . ?
C20 C19 1.389(4) . ?
C20 H20 0.9300 . ?
C15 C16 1.375(4) . ?
C15 C14 1.498(3) . y
C12 C11 1.504(4) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C3 C2 1.379(4) . ?
C3 H3 0.9300 . ?
C8 C9 1.500(3) . ?
C1 C6 1.352(4) . ?
C1 C2 1.357(4) . ?
C19 C18 1.362(4) . ?
C19 H19 0.9300 . ?
C6 C5 1.372(4) . ?
C6 H6 0.9300 . ?
C11 C10 1.496(4) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C5 H5 0.9300 . ?
C16 C17 1.388(4) . ?
C16 H16 0.9300 . ?
C10 C9 1.519(4) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C17 C18 1.355(4) . ?
C17 H17 0.9300 . ?
C2 H2 0.9300 . ?
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
_geom_hbond_publ_flag
N4 H4 N2 0.85(3) 1.93(3) 2.611(3) 137(2) . yes
O3 H3A N3 0.79(4) 2.11(4) 2.875(3) 161(4) . yes
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
C13 N3 N4 C14 -177.1(2) . . . .
C8 N2 N1 C7 -160.1(2) . . . .
N4 N3 C13 C8 -1.2(4) . . . .
N4 N3 C13 C12 178.1(2) . . . .
N2 N1 C7 O1 8.5(4) . . . .
N2 N1 C7 C4 -174.7(2) . . . .
C3 C4 C7 O1 -145.9(3) . . . .
C5 C4 C7 O1 32.6(4) . . . .
C3 C4 C7 N1 37.3(4) . . . .
C5 C4 C7 N1 -144.2(3) . . . .
C19 C20 C15 C16 0.1(4) . . . .
C19 C20 C15 C14 -179.6(3) . . . .
N3 N4 C14 O2 -1.7(4) . . . .
N3 N4 C14 C15 178.2(2) . . . .
C16 C15 C14 O2 -5.9(4) . . . .
C20 C15 C14 O2 173.8(3) . . . .
C16 C15 C14 N4 174.2(2) . . . .
C20 C15 C14 N4 -6.0(4) . . . .
N3 C13 C12 C11 165.4(2) . . . .
C8 C13 C12 C11 -15.3(4) . . . .
C5 C4 C3 C2 0.8(4) . . . .
C7 C4 C3 C2 179.4(3) . . . .
N1 N2 C8 C13 -175.0(2) . . . .
N1 N2 C8 C9 5.2(4) . . . .
N3 C13 C8 N2 -6.5(4) . . . .
C12 C13 C8 N2 174.3(2) . . . .
N3 C13 C8 C9 173.3(2) . . . .
C12 C13 C8 C9 -6.0(4) . . . .
C15 C20 C19 C18 0.2(4) . . . .
C2 C1 C6 C5 0.4(5) . . . .
F1 C1 C6 C5 179.8(3) . . . .
C13 C12 C11 C10 50.5(3) . . . .
C1 C6 C5 C4 0.3(4) . . . .
C3 C4 C5 C6 -0.9(4) . . . .
C7 C4 C5 C6 -179.5(3) . . . .
C20 C15 C16 C17 0.0(4) . . . .
C14 C15 C16 C17 179.7(3) . . . .
C12 C11 C10 C9 -65.6(3) . . . .
N2 C8 C9 C10 171.0(3) . . . .
C13 C8 C9 C10 -8.8(4) . . . .
C11 C10 C9 C8 44.5(3) . . . .
C15 C16 C17 C18 -0.3(5) . . . .
C16 C17 C18 F2 -178.3(3) . . . .
C16 C17 C18 C19 0.6(5) . . . .
C20 C19 C18 C17 -0.5(5) . . . .
C20 C19 C18 F2 178.4(3) . . . .
C6 C1 C2 C3 -0.5(5) . . . .
F1 C1 C2 C3 -179.9(3) . . . .
C4 C3 C2 C1 -0.1(4) . . . .

_cod_database_fobs_code 2022639
