##############################################################################
#                                                                            #
# This CIF contains the data for a data article accepted for                 #
# publication in IUCrData. It conforms to the requirements of                #
# Notes for Authors for IUCrData, and has been                               #
# peer reviewed under the auspices of IUCrData.                              #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the data    # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_I
_journal_date_recd_electronic     2022-01-12
_journal_date_accepted     2022-03-03
_journal_name_full     'IUCrData'
_journal_year     2022
_journal_volume     7
_journal_issue      3
_journal_page_first     0
_journal_page_last     0
_journal_paper_category     HO
_journal_paper_doi     10.1107/S2414314622002486
_journal_coeditor_code     BH4067
_publ_contact_author_name     'Bradley W. Smucker'
_publ_contact_author_address
;
Austin College
900 N Grand
Sherman, TX 75090
USA
;
_publ_contact_author_email     bsmucker@austincollege.edu
_publ_contact_author_fax     ?
_publ_contact_author_phone     ?
_publ_section_title
;
1-(2-Methylphenyl)-4,4'-bipyridin-1-ium tetrafluoridoborate
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    "Welton, Claire E." .
;
Austin College
900 N Grand
Sherman, TX 75090
USA
;
    "Nesterov, Vladimir N." .
;
University of North Texas
1155 Union Circle
Denton, TX 76203-5070
USA
;
    "Smucker, Bradley W." .
;
Austin College
900 N Grand
Sherman, TX 75090
USA
;
_publ_section_synopsis
;
In the crystal structure of the title compound, the cations pack as dimers
connected by weak hydrogen bonds between the pyridyl nitrogen and a methyl
hydrogen atom on the neighboring cation.
;
_chemical_name_systematic
;
1-(2-Methylphenyl)-4,4'-bipyridin-1-ium tetrafluoridoborate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C17 H15 N2 +, B F4 -'
_chemical_formula_sum     'C17 H15 B F4 N2'
_chemical_formula_iupac     'C17 H15 N2 +, B F4 -'
_chemical_formula_weight     334.12
_chemical_melting_point     ?
_space_group_crystal_system     monoclinic
_space_group_name_H-M_alt     'P 1 21/n 1'
_space_group_name_Hall     '-P 2yn'
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     11.4260(5)
_cell_length_b     9.0735(3)
_cell_length_c     15.5434(5)
_cell_angle_alpha     90
_cell_angle_beta     102.118(4)
_cell_angle_gamma     90
_cell_volume     1575.54(10)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     4873
_cell_measurement_theta_min     4.4030
_cell_measurement_theta_max     74.8350
_cell_measurement_temperature     200.0(10)
_exptl_crystal_description     plate
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.095
_exptl_crystal_size_mid     0.086
_exptl_crystal_size_min     0.013
_exptl_crystal_density_diffrn     1.409
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     688
loop_
    _exptl_crystal_face_index_h
    _exptl_crystal_face_index_k
    _exptl_crystal_face_index_l
    _exptl_crystal_face_perp_dist
    5 0 6 0.0065
    -5 0 -6 0.0065
    0 -6 0 0.0209
    0 6 0 0.0729
    5 0 -8 0.0421
    -5 0 8 0.0421
_exptl_absorpt_coefficient_mu     0.995
_exptl_absorpt_correction_type     gaussian
_exptl_absorpt_process_details
;
(CrysAlis Pro; Rigaku OD, 2019)
;
_exptl_absorpt_correction_T_min     0.845
_exptl_absorpt_correction_T_max     1.000
_diffrn_ambient_temperature     200.0(10)
_diffrn_source     'micro-focus sealed X-ray tube'
_diffrn_radiation_type     'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_monochromator     mirror
_diffrn_measurement_device_type     'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_device     'four-circle diffractometer'
_diffrn_measurement_method     'ω scans'
_diffrn_detector     'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean     10.0000
_diffrn_reflns_number     16394
_diffrn_reflns_av_R_equivalents     0.0225
_diffrn_reflns_av_unetI/netI     0.0132
_diffrn_reflns_theta_min     5.384
_diffrn_reflns_theta_max     66.584
_diffrn_reflns_theta_full     66.584
_diffrn_measured_fraction_theta_max     0.995
_diffrn_measured_fraction_theta_full     0.995
_diffrn_reflns_limit_h_min     -13
_diffrn_reflns_limit_h_max     13
_diffrn_reflns_limit_k_min     -8
_diffrn_reflns_limit_k_max     10
_diffrn_reflns_limit_l_min     -18
_diffrn_reflns_limit_l_max     18
_diffrn_radiation_probe     x-ray
_refine_special_details     ?
_reflns_number_total     2786
_reflns_number_gt     2296
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.1179
_refine_ls_R_factor_gt     0.1081
_refine_ls_wR_factor_gt     0.3660
_refine_ls_wR_factor_ref     0.3782
_refine_ls_goodness_of_fit_ref     1.634
_refine_ls_restrained_S_all     1.630
_refine_ls_number_reflns     2786
_refine_ls_number_parameters     240
_refine_ls_number_restraints     30
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
                      'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.445
_refine_diff_density_min     -0.240
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     .
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0181 0.0091
                         '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'
    'B' 'B' 0.0090 0.0039
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'F' 'F' 0.0727 0.0534
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0311 0.0180
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
;
CrysAlis Pro (Rigaku OD, 2019)
;
_computing_cell_refinement
;
CrysAlis Pro (Rigaku OD, 2019)
;
_computing_data_reduction
;
CrysAlis Pro (Rigaku OD, 2019)
;
_computing_structure_solution
;
SHELXT2018/2 (Sheldrick, 2015a)
;
_computing_structure_refinement
;
SHELXL2018/3 (Sheldrick, 2015b)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov et al.,  2009),
Mercury (Macrae et al., 2020)
;
_computing_publication_material
;
OLEX2 (Dolomanov et al.,  2009)
;
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_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    F F1 0.3153(14) 0.3155(13) 0.6447(8) 0.164(4) Uani d 0.493(6) A 1
    F F2 0.4760(14) 0.312(2) 0.7610(8) 0.169(6) Uani d 0.493(6) A 1
    F F3 0.3583(14) 0.524(2) 0.7352(10) 0.152(5) Uani d 0.493(6) A 1
    F F4 0.4860(11) 0.4406(9) 0.6437(8) 0.155(4) Uani d 0.493(6) A 1
    B B1 0.415(3) 0.402(3) 0.6907(18) 0.113(3) Uani d 0.493(6) A 1
    F F1A 0.3290(16) 0.530(2) 0.7158(11) 0.145(5) Uani d 0.507(6) A 2
    F F2A 0.4771(16) 0.372(2) 0.7621(12) 0.202(8) Uani d 0.507(6) A 2
    F F3A 0.4091(17) 0.418(2) 0.6267(7) 0.214(9) Uani d 0.507(6) A 2
    F F4A 0.2994(13) 0.3047(13) 0.7003(10) 0.193(5) Uani d 0.507(6) A 2
    B B1A 0.380(2) 0.409(3) 0.7088(17) 0.113(3) Uani d 0.507(6) A 2
    N N1 0.2687(4) 0.9335(5) 0.3262(2) 0.1134(9) Uani d 1 . .
    N N2 0.4946(2) 0.8531(3) 0.78218(17) 0.0764(8) Uani d 1 . .
    C C1 0.2431(4) 1.0258(6) 0.3851(3) 0.1134(9) Uani d 1 . .
    H H1 0.190962 1.102669 0.364388 0.136 Uiso calc 1 . .
    C C2 0.2866(4) 1.0187(5) 0.4745(3) 0.0982(12) Uani d 1 . .
    H H2 0.264380 1.088352 0.511920 0.118 Uiso calc 1 . .
    C C3 0.3641(3) 0.9056(4) 0.5073(2) 0.0768(9) Uani d 1 . .
    C C4 0.3920(4) 0.8102(5) 0.4469(2) 0.0979(12) Uani d 1 . .
    H H4 0.443970 0.732164 0.465446 0.118 Uiso calc 1 . .
    C C5 0.3441(4) 0.8285(6) 0.3586(3) 0.1134(9) Uani d 1 . .
    H H5 0.366517 0.762100 0.319478 0.136 Uiso calc 1 . .
    C C6 0.3935(8) 0.9217(10) 0.7527(5) 0.0836(12) Uani d 0.493(6) A 1
    H H6 0.349547 0.957945 0.792095 0.100 Uiso calc 0.493(6) A 1
    C C7 0.3526(8) 0.9402(9) 0.6654(5) 0.0836(12) Uani d 0.493(6) A 1
    H H7 0.281258 0.991286 0.646357 0.100 Uiso calc 0.493(6) A 1
    C C8 0.4113(3) 0.8872(3) 0.60354(19) 0.0694(8) Uani d 1 . .
    C C9 0.5101(8) 0.7906(12) 0.6389(7) 0.0836(12) Uani d 0.493(6) A 1
    H H9 0.547025 0.737002 0.601039 0.100 Uiso calc 0.493(6) A 1
    C C10 0.5484(9) 0.7783(13) 0.7254(8) 0.0836(12) Uani d 0.493(6) A 1
    H H10 0.613277 0.717412 0.747470 0.100 Uiso calc 0.493(6) A 1
    C C11 0.5354(3) 0.8302(4) 0.8786(2) 0.0833(10) Uani d 1 . .
    C C12 0.6227(3) 0.9222(4) 0.9257(2) 0.0893(11) Uani d 1 . .
    C C13 0.6571(4) 0.8949(5) 1.0169(2) 0.0947(11) Uani d 1 . .
    H H13 0.716373 0.952582 1.051149 0.114 Uiso calc 1 . .
    C C14 0.6053(4) 0.7857(5) 1.0553(2) 0.1002(13) Uani d 1 . .
    H H14 0.629212 0.770262 1.115608 0.120 Uiso calc 1 . .
    C C15 0.5208(5) 0.7005(5) 1.0085(3) 0.1115(14) Uani d 1 . .
    H H15 0.486885 0.625935 1.036254 0.134 Uiso calc 1 . .
    C C16 0.4823(4) 0.7217(5) 0.9174(2) 0.1013(12) Uani d 1 . .
    H H16 0.422234 0.663387 0.884552 0.122 Uiso calc 1 . .
    C C17 0.6795(5) 1.0384(6) 0.8840(3) 0.1146(14) Uani d 1 . .
    H H17A 0.699061 1.001150 0.830901 0.172 Uiso calc 1 . .
    H H17B 0.751317 1.070252 0.923432 0.172 Uiso calc 1 . .
    H H17C 0.625551 1.120184 0.870080 0.172 Uiso calc 1 . .
    C C6A 0.5156(8) 0.7563(13) 0.7254(8) 0.0836(12) Uani d 0.507(6) A 2
    H H6A 0.560901 0.673187 0.745238 0.100 Uiso calc 0.507(6) A 2
    C C7A 0.4714(8) 0.7748(12) 0.6354(7) 0.0836(12) Uani d 0.507(6) A 2
    H H7A 0.486638 0.701903 0.597120 0.100 Uiso calc 0.507(6) A 2
    C C9A 0.3999(7) 1.0067(10) 0.6624(5) 0.0836(12) Uani d 0.507(6) A 2
    H H9A 0.367388 1.096731 0.640958 0.100 Uiso calc 0.507(6) A 2
    C C10A 0.4385(7) 0.9833(9) 0.7510(5) 0.0836(12) Uani d 0.507(6) A 2
    H H10A 0.426844 1.055966 0.790597 0.100 Uiso calc 0.507(6) A 2
_geom_special_details     ?
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
    F1 B1 . 1.44(3) ?
    F2 B1 . 1.42(3) ?
    F3 B1 . 1.52(3) ?
    F4 B1 . 1.248(19) ?
    F1A B1A . 1.26(3) ?
    F2A B1A . 1.28(4) ?
    F3A B1A . 1.39(2) ?
    F4A B1A . 1.31(3) ?
    N1 C1 . 1.319(6) ?
    N1 C5 . 1.312(7) ?
    N2 C6 . 1.307(8) ?
    N2 C10 . 1.359(11) ?
    N2 C11 . 1.487(4) ?
    N2 C6A . 1.303(11) ?
    N2 C10A . 1.382(8) ?
    C1 H1 . 0.9300 ?
    C1 C2 . 1.375(6) ?
    C2 H2 . 0.9300 ?
    C2 C3 . 1.381(5) ?
    C3 C4 . 1.363(5) ?
    C3 C8 . 1.489(4) ?
    C4 H4 . 0.9300 ?
    C4 C5 . 1.376(6) ?
    C5 H5 . 0.9300 ?
    C6 H6 . 0.9300 ?
    C6 C7 . 1.350(9) ?
    C7 H7 . 0.9300 ?
    C7 C8 . 1.369(8) ?
    C8 C9 . 1.444(11) ?
    C8 C7A . 1.271(11) ?
    C8 C9A . 1.442(8) ?
    C9 H9 . 0.9300 ?
    C9 C10 . 1.329(12) ?
    C10 H10 . 0.9300 ?
    C11 C12 . 1.387(5) ?
    C11 C16 . 1.362(5) ?
    C12 C13 . 1.411(5) ?
    C12 C17 . 1.460(6) ?
    C13 H13 . 0.9300 ?
    C13 C14 . 1.356(6) ?
    C14 H14 . 0.9300 ?
    C14 C15 . 1.328(6) ?
    C15 H15 . 0.9300 ?
    C15 C16 . 1.405(5) ?
    C16 H16 . 0.9300 ?
    C17 H17A . 0.9600 ?
    C17 H17B . 0.9600 ?
    C17 H17C . 0.9600 ?
    C6A C7A . 1.393(12) ?
    C6A H6A . 0.9300 ?
    C7A H7A . 0.9300 ?
    C9A C10A . 1.372(9) ?
    C9A H9A . 0.9300 ?
    C10A H10A . 0.9300 ?
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
    F2 B1 F1 . . 106.1(19) ?
    F2 B1 F3 . . 104.7(18) ?
    F4 B1 F2 . . 110(2) ?
    F4 B1 F1 . . 114(2) ?
    F4 B1 F3 . . 117(2) ?
    F1 B1 F3 . . 104.4(19) ?
    F1A B1A F2A . . 122(3) ?
    F1A B1A F3A . . 103(2) ?
    F1A B1A F4A . . 108(2) ?
    F2A B1A F3A . . 105.7(17) ?
    F2A B1A F4A . . 112(2) ?
    F4A B1A F3A . . 105(2) ?
    C5 N1 C1 . . 114.6(4) ?
    C6 N2 C10 . . 119.8(6) ?
    C6 N2 C11 . . 119.1(4) ?
    C10 N2 C11 . . 119.7(6) ?
    C6A N2 C11 . . 121.7(6) ?
    C6A N2 C10A . . 118.5(6) ?
    C10A N2 C11 . . 119.8(4) ?
    N1 C1 H1 . . 117.0 ?
    N1 C1 C2 . . 125.9(5) ?
    C2 C1 H1 . . 117.0 ?
    C1 C2 H2 . . 120.8 ?
    C1 C2 C3 . . 118.4(4) ?
    C3 C2 H2 . . 120.8 ?
    C2 C3 C8 . . 121.5(3) ?
    C4 C3 C2 . . 116.2(3) ?
    C4 C3 C8 . . 122.2(3) ?
    C3 C4 H4 . . 119.7 ?
    C3 C4 C5 . . 120.5(4) ?
    C5 C4 H4 . . 119.7 ?
    N1 C5 C4 . . 124.3(4) ?
    N1 C5 H5 . . 117.9 ?
    C4 C5 H5 . . 117.9 ?
    N2 C6 H6 . . 119.8 ?
    N2 C6 C7 . . 120.4(6) ?
    C7 C6 H6 . . 119.8 ?
    C6 C7 H7 . . 118.5 ?
    C6 C7 C8 . . 123.0(6) ?
    C8 C7 H7 . . 118.5 ?
    C7 C8 C3 . . 122.6(4) ?
    C7 C8 C9 . . 113.9(5) ?
    C9 C8 C3 . . 122.6(5) ?
    C7A C8 C3 . . 122.2(5) ?
    C7A C8 C9A . . 118.0(6) ?
    C9A C8 C3 . . 119.5(4) ?
    C8 C9 H9 . . 119.9 ?
    C10 C9 C8 . . 120.1(7) ?
    C10 C9 H9 . . 119.9 ?
    N2 C10 H10 . . 119.4 ?
    C9 C10 N2 . . 121.1(8) ?
    C9 C10 H10 . . 119.4 ?
    C12 C11 N2 . . 119.2(3) ?
    C16 C11 N2 . . 118.2(3) ?
    C16 C11 C12 . . 122.6(3) ?
    C11 C12 C13 . . 116.3(4) ?
    C11 C12 C17 . . 122.5(3) ?
    C13 C12 C17 . . 121.2(4) ?
    C12 C13 H13 . . 119.5 ?
    C14 C13 C12 . . 121.1(4) ?
    C14 C13 H13 . . 119.5 ?
    C13 C14 H14 . . 119.4 ?
    C15 C14 C13 . . 121.2(4) ?
    C15 C14 H14 . . 119.4 ?
    C14 C15 H15 . . 119.6 ?
    C14 C15 C16 . . 120.7(4) ?
    C16 C15 H15 . . 119.6 ?
    C11 C16 C15 . . 118.1(4) ?
    C11 C16 H16 . . 120.9 ?
    C15 C16 H16 . . 120.9 ?
    C12 C17 H17A . . 109.5 ?
    C12 C17 H17B . . 109.5 ?
    C12 C17 H17C . . 109.5 ?
    H17A C17 H17B . . 109.5 ?
    H17A C17 H17C . . 109.5 ?
    H17B C17 H17C . . 109.5 ?
    C8 C7A H7A . . 118.7 ?
    C8 C7A C6A . . 122.7(8) ?
    N2 C6A C7A . . 121.3(9) ?
    N2 C6A H6A . . 119.4 ?
    N2 C10A H10A . . 119.6 ?
    C8 C9A H9A . . 121.0 ?
    C6A C7A H7A . . 118.7 ?
    C7A C6A H6A . . 119.4 ?
    C9A C10A N2 . . 120.8(6) ?
    C9A C10A H10A . . 119.6 ?
    C10A C9A C8 . . 117.9(6) ?
    C10A C9A H9A . . 121.0 ?
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 . . . . -0.1(6) ?
    N2 C6 C7 C8 . . . . 1.4(12) ?
    N2 C11 C12 C13 . . . . 179.8(3) ?
    N2 C11 C12 C17 . . . . -2.1(5) ?
    N2 C11 C16 C15 . . . . -179.9(3) ?
    N2 C10A C9A C8 . . . . 4.7(11) ?
    C1 N1 C5 C4 . . . . 1.6(7) ?
    C1 C2 C3 C4 . . . . 0.7(5) ?
    C1 C2 C3 C8 . . . . -177.6(3) ?
    C2 C3 C4 C5 . . . . -0.1(5) ?
    C2 C3 C8 C7 . . . . 24.5(6) ?
    C2 C3 C8 C9 . . . . -166.9(6) ?
    C2 C3 C8 C7A . . . . 171.8(6) ?
    C2 C3 C8 C9A . . . . -14.9(6) ?
    C3 C4 C5 N1 . . . . -1.1(7) ?
    C3 C8 C9 C10 . . . . -179.9(5) ?
    C3 C8 C7A C6A . . . . -179.7(5) ?
    C3 C8 C9A C10A . . . . 176.6(5) ?
    C4 C3 C8 C7 . . . . -153.7(6) ?
    C4 C3 C8 C9 . . . . 14.9(6) ?
    C4 C3 C8 C7A . . . . -6.4(7) ?
    C4 C3 C8 C9A . . . . 166.9(5) ?
    C5 N1 C1 C2 . . . . -1.0(7) ?
    C6 N2 C10 C9 . . . . 9.9(11) ?
    C6 N2 C11 C12 . . . . -101.0(6) ?
    C6 N2 C11 C16 . . . . 77.0(6) ?
    C6 C7 C8 C3 . . . . 178.7(6) ?
    C6 C7 C8 C9 . . . . 9.2(11) ?
    C7 C8 C9 C10 . . . . -10.3(10) ?
    C8 C3 C4 C5 . . . . 178.2(3) ?
    C8 C9 C10 N2 . . . . 1.4(11) ?
    C8 C7A C6A N2 . . . . 1.7(11) ?
    C10 N2 C6 C7 . . . . -11.3(11) ?
    C10 N2 C11 C12 . . . . 92.2(6) ?
    C10 N2 C11 C16 . . . . -89.8(6) ?
    C11 N2 C6 C7 . . . . -178.1(6) ?
    C11 N2 C10 C9 . . . . 176.6(6) ?
    C11 N2 C6A C7A . . . . 176.5(5) ?
    C11 N2 C10A C9A . . . . -179.9(6) ?
    C11 C12 C13 C14 . . . . -1.1(5) ?
    C12 C11 C16 C15 . . . . -1.9(6) ?
    C12 C13 C14 C15 . . . . 0.4(6) ?
    C13 C14 C15 C16 . . . . -0.4(6) ?
    C14 C15 C16 C11 . . . . 1.1(6) ?
    C16 C11 C12 C13 . . . . 1.9(5) ?
    C16 C11 C12 C17 . . . . 180.0(4) ?
    C17 C12 C13 C14 . . . . -179.2(4) ?
    C7A C8 C9A C10A . . . . -9.8(10) ?
    C6A N2 C11 C12 . . . . 113.3(6) ?
    C6A N2 C11 C16 . . . . -68.7(6) ?
    C6A N2 C10A C9A . . . . 3.6(10) ?
    C10A N2 C11 C12 . . . . -63.2(6) ?
    C10A N2 C11 C16 . . . . 114.9(5) ?
    C10A N2 C6A C7A . . . . -7.0(9) ?
    C9A C8 C7A C6A . . . . 6.9(10) ?
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
    C17 H17A N1 3_676 0.96 2.61 3.450(6) 146
_shelx_space_group_comment     ?
_shelx_estimated_absorpt_T_min     ?
_shelx_estimated_absorpt_T_max     ?
