##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in          #
# Acta Crystallographica Section E. It conforms to the requirements of       #
# Notes for Authors for Acta Crystallographica Section E, and has been       #
# peer reviewed under the auspices of the IUCr Commission on Journals.       #
#                                                                            #
# 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 journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_I
_audit_creation_method     'SHELXL-2018/1'
_journal_date_recd_electronic     2021-02-17
_journal_date_accepted     2021-03-02
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2021
_journal_volume     77
_journal_issue      4
_journal_page_first     346
_journal_page_last     350
_journal_paper_category     GO
_journal_paper_doi     10.1107/S2056989021002383
_journal_coeditor_code     YK2147
_publ_contact_author_name
;
Abdullah Aydin
;
_publ_contact_author_address
;
   Department of Mathematics and Science Education,
   Faculty of Education,
   Kastamonu University,
   37200 Kastamonu,
   Turkey
;
_publ_contact_author_email     aaydin@kastamonu.edu.tr
_publ_contact_author_fax     ?
_publ_contact_author_phone     ?
_publ_section_title
;
Crystal structure and Hirshfeld surface analysis of
4-(4-chlorophenyl)-5-methyl-3-{4-[(2-methylphenyl)methoxy]phenyl}-1,2-oxazole
;
_publ_section_title_footnote     .
loop_
    _publ_author_name
    _publ_author_address
    'Abdullah Aydin'
;
   Department of Mathematics and Science Education,
   Faculty of Education,
   Kastamonu University,
   37200 Kastamonu,
   Turkey
;
    'Mehmet Akkurt'
;
   Department of Physics,
   Faculty of Sciences,
   Erciyes University,
   38039 Kayseri,
   Turkey
;
    'Sumeyye Turanli'
;
   Department of Pharmaceutical Chemistry,
   Faculty of Pharmacy,
   Gazi University,
   06330 Ankara,
   Turkey
;
    'Deniz Lengerli'
;
   Department of Pharmaceutical Chemistry,
   Faculty of Pharmacy,
   Gazi University,
   06330 Ankara,
   Turkey
;
    'Erden Banoglu'
;
   Department of Pharmaceutical Chemistry,
   Faculty of Pharmacy,
   Gazi University,
   06330 Ankara,
   Turkey
;
    'Nefise Dilek Ozcelik'
;
   Department of Physics,
   Faculty of Arts and Sciences,
   Aksaray University,
   68100 Aksaray,
   Turkey
;
_publ_section_synopsis
;
In the crystal, the title molecules are linked by intermolecular C---H...N,
C---H...Cl, C---H...π contacts and π--π stacking interactions. A Hirshfeld
surface analysis was undertaken to quantify the intermolecular interactions.
;
_chemical_name_systematic
;
4-(4-Chlorophenyl)-5-methyl-3-{4-[(2-methylphenyl)methoxy]phenyl}-1,2-oxazole
;
_chemical_name_common     ?
_chemical_formula_moiety     'C24 H20 Cl N O2'
_chemical_formula_sum     'C24 H20 Cl N O2'
_chemical_formula_iupac     'C24 H20 Cl N O2'
_chemical_formula_weight     389.86
_chemical_melting_point     ?
_space_group_crystal_system     monoclinic
_space_group_name_H-M_alt     'P 21/c'
_space_group_name_Hall     '-P 2ybc'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y-1/2, z-1/2'
_cell_length_a     10.5733(10)
_cell_length_b     22.848(2)
_cell_length_c     8.7151(9)
_cell_angle_alpha     90
_cell_angle_beta     101.477(4)
_cell_angle_gamma     90
_cell_volume     2063.3(4)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     9984
_cell_measurement_theta_min     2.91
_cell_measurement_theta_max     26.11
_cell_measurement_temperature     296(2)
_exptl_crystal_description     block
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.17
_exptl_crystal_size_mid     0.13
_exptl_crystal_size_min     0.11
_exptl_crystal_density_diffrn     1.255
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     816
_exptl_absorpt_coefficient_mu     0.204
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2007)
;
_exptl_absorpt_correction_T_min     0.598
_exptl_absorpt_correction_T_max     0.745
_diffrn_ambient_temperature     296(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     ?
_diffrn_radiation_monochromator     ?
_diffrn_measurement_device_type     'Bruker SMART BREEZE CCD'
_diffrn_measurement_method     'φ and ω scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     45630
_diffrn_reflns_av_R_equivalents     0.0643
_diffrn_reflns_av_unetI/netI     0.0312
_diffrn_reflns_theta_min     2.912
_diffrn_reflns_theta_max     25.497
_diffrn_reflns_theta_full     25.242
_diffrn_measured_fraction_theta_max     0.997
_diffrn_measured_fraction_theta_full     0.997
_diffrn_reflns_limit_h_min     -12
_diffrn_reflns_limit_h_max     12
_diffrn_reflns_limit_k_min     -27
_diffrn_reflns_limit_k_max     27
_diffrn_reflns_limit_l_min     -10
_diffrn_reflns_limit_l_max     10
_diffrn_standards_number     0
_diffrn_standards_interval_count     ?
_diffrn_standards_decay_%     ?
_refine_special_details     ?
_reflns_number_total     3840
_reflns_number_gt     3030
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.1217
_refine_ls_R_factor_gt     0.0993
_refine_ls_wR_factor_gt     0.1740
_refine_ls_wR_factor_ref     0.1866
_refine_ls_goodness_of_fit_ref     1.246
_refine_ls_restrained_S_all     1.246
_refine_ls_number_reflns     3840
_refine_ls_number_parameters     255
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
              'w=1/[σ²(Fo²)+(0.0303P)²+3.1816P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary     ?
_refine_ls_shift/su_max     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.287
_refine_diff_density_min     -0.328
_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' 0.0033 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'
    'Cl' 'Cl' 0.1484 0.1585
                         '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'
_computing_data_collection
;
APEX2 (Bruker, 2007)
;
_computing_cell_refinement
;
SAINT (Bruker, 2007)
;
_computing_data_reduction
;
SAINT (Bruker, 2007)
;
_computing_structure_solution
;
SHELXT2014/4 (Sheldrick, 2015a)
;
_computing_structure_refinement
;
SHELXL2018/3 (Sheldrick, 2015b)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012)
;
_computing_publication_material
;
PLATON (Spek, 2020) and WinGX (Farrugia, 2012)
;
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
    C C1 0.9916(5) 0.3972(2) 0.0798(6) 0.0786(15) Uani d 1 . .
    H H1A 1.073792 0.414990 0.079720 0.118 Uiso calc 1 . .
    H H1B 0.949677 0.388351 -0.025762 0.118 Uiso calc 1 . .
    H H1C 1.003929 0.361730 0.140061 0.118 Uiso calc 1 . .
    C C2 0.9100(4) 0.43821(19) 0.1503(5) 0.0575(11) Uani d 1 . .
    C C3 0.8681(4) 0.43905(16) 0.2861(4) 0.0445(9) Uani d 1 . .
    C C4 0.7911(4) 0.49060(16) 0.2788(4) 0.0477(9) Uani d 1 . .
    C C5 0.8951(3) 0.39390(15) 0.4106(4) 0.0399(8) Uani d 1 . .
    C C6 1.0198(4) 0.38314(18) 0.4902(5) 0.0559(11) Uani d 1 . .
    H H6 1.087573 0.404533 0.464626 0.067 Uiso calc 1 . .
    C C7 1.0458(4) 0.34153(19) 0.6061(5) 0.0601(11) Uani d 1 . .
    H H7 1.129976 0.334858 0.658977 0.072 Uiso calc 1 . .
    C C8 0.9461(4) 0.31025(16) 0.6423(4) 0.0505(10) Uani d 1 . .
    C C9 0.8221(4) 0.31897(17) 0.5654(4) 0.0513(10) Uani d 1 . .
    H H9 0.755403 0.296826 0.590784 0.062 Uiso calc 1 . .
    C C10 0.7965(4) 0.36096(17) 0.4494(4) 0.0474(9) Uani d 1 . .
    H H10 0.712000 0.367117 0.396865 0.057 Uiso calc 1 . .
    C C11 0.7223(4) 0.51653(15) 0.3940(4) 0.0434(9) Uani d 1 . .
    C C12 0.7465(4) 0.50001(17) 0.5498(5) 0.0534(10) Uani d 1 . .
    H H12 0.804645 0.469849 0.582691 0.064 Uiso calc 1 . .
    C C13 0.6866(4) 0.52715(17) 0.6581(5) 0.0560(11) Uani d 1 . .
    H H13 0.703823 0.515063 0.762061 0.067 Uiso calc 1 . .
    C C14 0.6014(4) 0.57204(18) 0.6108(4) 0.0511(10) Uani d 1 . .
    C C15 0.5757(4) 0.5890(2) 0.4563(5) 0.0638(12) Uani d 1 . .
    H H15 0.517749 0.619299 0.423717 0.077 Uiso calc 1 . .
    C C16 0.6351(4) 0.5615(2) 0.3503(5) 0.0604(11) Uani d 1 . .
    H H16 0.616425 0.573436 0.246158 0.072 Uiso calc 1 . .
    C C17 0.5646(5) 0.5876(2) 0.8714(5) 0.0726(14) Uani d 1 . .
    H H17A 0.656655 0.583009 0.909755 0.087 Uiso calc 1 . .
    H H17B 0.522468 0.550907 0.885738 0.087 Uiso calc 1 . .
    C C18 0.5135(4) 0.6354(2) 0.9591(4) 0.0599(12) Uani d 1 . .
    C C19 0.4002(5) 0.6258(3) 1.0119(6) 0.0900(17) Uani d 1 . .
    H H19 0.356626 0.590511 0.988715 0.108 Uiso calc 1 . .
    C C20 0.3513(7) 0.6669(5) 1.0973(8) 0.130(3) Uani d 1 . .
    H H20 0.275977 0.659313 1.133673 0.156 Uiso calc 1 . .
    C C21 0.4116(11) 0.7181(4) 1.1287(9) 0.136(4) Uani d 1 . .
    H H21 0.377369 0.746428 1.185453 0.163 Uiso calc 1 . .
    C C22 0.5229(9) 0.7290(3) 1.0780(8) 0.117(3) Uani d 1 . .
    H H22 0.563766 0.764957 1.100443 0.140 Uiso calc 1 . .
    C C23 0.5775(6) 0.6873(3) 0.9926(6) 0.0797(15) Uani d 1 . .
    C C24 0.7025(7) 0.6991(3) 0.9434(8) 0.134(3) Uani d 1 . .
    H H24A 0.769778 0.676652 1.007418 0.200 Uiso calc 1 . .
    H H24B 0.722625 0.739980 0.955410 0.200 Uiso calc 1 . .
    H H24C 0.695494 0.688090 0.835677 0.200 Uiso calc 1 . .
    Cl Cl1 0.97763(16) 0.25691(6) 0.78820(15) 0.0889(5) Uani d 1 . .
    N N1 0.7874(4) 0.51849(16) 0.1458(4) 0.0666(10) Uani d 1 . .
    O O1 0.8631(3) 0.48497(14) 0.0621(3) 0.0709(9) Uani d 1 . .
    O O2 0.5395(3) 0.60330(14) 0.7082(3) 0.0668(9) Uani d 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 C2 . 1.487(6) ?
    C1 H1A . 0.9600 ?
    C1 H1B . 0.9600 ?
    C1 H1C . 0.9600 ?
    C2 C3 . 1.344(5) ?
    C2 O1 . 1.351(5) ?
    C3 C4 . 1.426(5) ?
    C3 C5 . 1.483(5) ?
    C4 N1 . 1.317(5) ?
    C4 C11 . 1.476(5) ?
    C5 C10 . 1.381(5) ?
    C5 C6 . 1.384(5) ?
    C6 C7 . 1.375(5) ?
    C6 H6 . 0.9300 ?
    C7 C8 . 1.361(6) ?
    C7 H7 . 0.9300 ?
    C8 C9 . 1.363(6) ?
    C8 Cl1 . 1.745(4) ?
    C9 C10 . 1.381(5) ?
    C9 H9 . 0.9300 ?
    C10 H10 . 0.9300 ?
    C11 C16 . 1.383(5) ?
    C11 C12 . 1.383(5) ?
    C12 C13 . 1.384(5) ?
    C12 H12 . 0.9300 ?
    C13 C14 . 1.373(5) ?
    C13 H13 . 0.9300 ?
    C14 O2 . 1.371(5) ?
    C14 C15 . 1.376(5) ?
    C15 C16 . 1.369(6) ?
    C15 H15 . 0.9300 ?
    C16 H16 . 0.9300 ?
    C17 O2 . 1.439(5) ?
    C17 C18 . 1.494(6) ?
    C17 H17A . 0.9700 ?
    C17 H17B . 0.9700 ?
    C18 C23 . 1.368(7) ?
    C18 C19 . 1.383(7) ?
    C19 C20 . 1.364(9) ?
    C19 H19 . 0.9300 ?
    C20 C21 . 1.334(12) ?
    C20 H20 . 0.9300 ?
    C21 C22 . 1.361(11) ?
    C21 H21 . 0.9300 ?
    C22 C23 . 1.402(9) ?
    C22 H22 . 0.9300 ?
    C23 C24 . 1.493(8) ?
    C24 H24A . 0.9600 ?
    C24 H24B . 0.9600 ?
    C24 H24C . 0.9600 ?
    N1 O1 . 1.411(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
    C2 C1 H1A . . 109.5 ?
    C2 C1 H1B . . 109.5 ?
    H1A C1 H1B . . 109.5 ?
    C2 C1 H1C . . 109.5 ?
    H1A C1 H1C . . 109.5 ?
    H1B C1 H1C . . 109.5 ?
    C3 C2 O1 . . 110.0(4) ?
    C3 C2 C1 . . 133.8(4) ?
    O1 C2 C1 . . 116.2(4) ?
    C2 C3 C4 . . 104.9(3) ?
    C2 C3 C5 . . 125.8(4) ?
    C4 C3 C5 . . 129.2(3) ?
    N1 C4 C3 . . 110.8(3) ?
    N1 C4 C11 . . 118.2(3) ?
    C3 C4 C11 . . 131.0(3) ?
    C10 C5 C6 . . 118.1(3) ?
    C10 C5 C3 . . 120.9(3) ?
    C6 C5 C3 . . 121.0(3) ?
    C7 C6 C5 . . 121.4(4) ?
    C7 C6 H6 . . 119.3 ?
    C5 C6 H6 . . 119.3 ?
    C8 C7 C6 . . 118.9(4) ?
    C8 C7 H7 . . 120.6 ?
    C6 C7 H7 . . 120.6 ?
    C7 C8 C9 . . 121.5(4) ?
    C7 C8 Cl1 . . 119.4(3) ?
    C9 C8 Cl1 . . 119.1(3) ?
    C8 C9 C10 . . 119.4(3) ?
    C8 C9 H9 . . 120.3 ?
    C10 C9 H9 . . 120.3 ?
    C9 C10 C5 . . 120.7(4) ?
    C9 C10 H10 . . 119.7 ?
    C5 C10 H10 . . 119.7 ?
    C16 C11 C12 . . 117.1(4) ?
    C16 C11 C4 . . 120.2(3) ?
    C12 C11 C4 . . 122.6(3) ?
    C11 C12 C13 . . 121.8(4) ?
    C11 C12 H12 . . 119.1 ?
    C13 C12 H12 . . 119.1 ?
    C14 C13 C12 . . 119.5(4) ?
    C14 C13 H13 . . 120.3 ?
    C12 C13 H13 . . 120.3 ?
    O2 C14 C13 . . 124.7(3) ?
    O2 C14 C15 . . 115.7(3) ?
    C13 C14 C15 . . 119.6(4) ?
    C16 C15 C14 . . 120.2(4) ?
    C16 C15 H15 . . 119.9 ?
    C14 C15 H15 . . 119.9 ?
    C15 C16 C11 . . 121.7(4) ?
    C15 C16 H16 . . 119.1 ?
    C11 C16 H16 . . 119.1 ?
    O2 C17 C18 . . 108.0(3) ?
    O2 C17 H17A . . 110.1 ?
    C18 C17 H17A . . 110.1 ?
    O2 C17 H17B . . 110.1 ?
    C18 C17 H17B . . 110.1 ?
    H17A C17 H17B . . 108.4 ?
    C23 C18 C19 . . 119.4(5) ?
    C23 C18 C17 . . 121.9(5) ?
    C19 C18 C17 . . 118.6(5) ?
    C20 C19 C18 . . 121.3(7) ?
    C20 C19 H19 . . 119.4 ?
    C18 C19 H19 . . 119.4 ?
    C21 C20 C19 . . 119.9(8) ?
    C21 C20 H20 . . 120.0 ?
    C19 C20 H20 . . 120.0 ?
    C20 C21 C22 . . 120.2(8) ?
    C20 C21 H21 . . 119.9 ?
    C22 C21 H21 . . 119.9 ?
    C21 C22 C23 . . 121.5(8) ?
    C21 C22 H22 . . 119.3 ?
    C23 C22 H22 . . 119.3 ?
    C18 C23 C22 . . 117.7(6) ?
    C18 C23 C24 . . 121.5(6) ?
    C22 C23 C24 . . 120.8(7) ?
    C23 C24 H24A . . 109.5 ?
    C23 C24 H24B . . 109.5 ?
    H24A C24 H24B . . 109.5 ?
    C23 C24 H24C . . 109.5 ?
    H24A C24 H24C . . 109.5 ?
    H24B C24 H24C . . 109.5 ?
    C4 N1 O1 . . 105.8(3) ?
    C2 O1 N1 . . 108.5(3) ?
    C14 O2 C17 . . 117.7(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
    O1 C2 C3 C4 . . . . -0.5(5) ?
    C1 C2 C3 C4 . . . . -179.0(5) ?
    O1 C2 C3 C5 . . . . 177.6(3) ?
    C1 C2 C3 C5 . . . . -0.9(8) ?
    C2 C3 C4 N1 . . . . 0.2(5) ?
    C5 C3 C4 N1 . . . . -177.8(4) ?
    C2 C3 C4 C11 . . . . -177.8(4) ?
    C5 C3 C4 C11 . . . . 4.2(7) ?
    C2 C3 C5 C10 . . . . -115.9(5) ?
    C4 C3 C5 C10 . . . . 61.7(5) ?
    C2 C3 C5 C6 . . . . 63.4(6) ?
    C4 C3 C5 C6 . . . . -119.0(5) ?
    C10 C5 C6 C7 . . . . -0.9(6) ?
    C3 C5 C6 C7 . . . . 179.8(4) ?
    C5 C6 C7 C8 . . . . 0.3(7) ?
    C6 C7 C8 C9 . . . . 0.6(6) ?
    C6 C7 C8 Cl1 . . . . 179.5(3) ?
    C7 C8 C9 C10 . . . . -0.8(6) ?
    Cl1 C8 C9 C10 . . . . -179.8(3) ?
    C8 C9 C10 C5 . . . . 0.2(6) ?
    C6 C5 C10 C9 . . . . 0.6(6) ?
    C3 C5 C10 C9 . . . . 180.0(3) ?
    N1 C4 C11 C16 . . . . 13.4(6) ?
    C3 C4 C11 C16 . . . . -168.7(4) ?
    N1 C4 C11 C12 . . . . -162.7(4) ?
    C3 C4 C11 C12 . . . . 15.1(6) ?
    C16 C11 C12 C13 . . . . 0.0(6) ?
    C4 C11 C12 C13 . . . . 176.2(4) ?
    C11 C12 C13 C14 . . . . -0.5(7) ?
    C12 C13 C14 O2 . . . . -177.9(4) ?
    C12 C13 C14 C15 . . . . 0.7(7) ?
    O2 C14 C15 C16 . . . . 178.4(4) ?
    C13 C14 C15 C16 . . . . -0.3(7) ?
    C14 C15 C16 C11 . . . . -0.3(7) ?
    C12 C11 C16 C15 . . . . 0.5(6) ?
    C4 C11 C16 C15 . . . . -175.9(4) ?
    O2 C17 C18 C23 . . . . -77.0(5) ?
    O2 C17 C18 C19 . . . . 105.2(5) ?
    C23 C18 C19 C20 . . . . -0.3(8) ?
    C17 C18 C19 C20 . . . . 177.7(5) ?
    C18 C19 C20 C21 . . . . 1.3(10) ?
    C19 C20 C21 C22 . . . . -1.1(12) ?
    C20 C21 C22 C23 . . . . -0.2(11) ?
    C19 C18 C23 C22 . . . . -1.0(7) ?
    C17 C18 C23 C22 . . . . -178.8(4) ?
    C19 C18 C23 C24 . . . . 177.7(5) ?
    C17 C18 C23 C24 . . . . -0.1(7) ?
    C21 C22 C23 C18 . . . . 1.2(9) ?
    C21 C22 C23 C24 . . . . -177.5(6) ?
    C3 C4 N1 O1 . . . . 0.2(5) ?
    C11 C4 N1 O1 . . . . 178.4(3) ?
    C3 C2 O1 N1 . . . . 0.6(5) ?
    C1 C2 O1 N1 . . . . 179.4(4) ?
    C4 N1 O1 C2 . . . . -0.5(5) ?
    C13 C14 O2 C17 . . . . -0.5(6) ?
    C15 C14 O2 C17 . . . . -179.2(4) ?
    C18 C17 O2 C14 . . . . 166.7(4) ?
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
    _geom_hbond_publ_flag
    C17 H17A N1 1_556 0.97 2.68 3.395(6) 130.8 yes
    C6 H6 Cg3 3_766 0.93 2.86 3.747(5) 159 yes
    C19 H19 Cg1 3_666 0.93 2.77 3.614(6) 151 yes
    C8 Cl1 Cg2 4_555 1.745(4) 3.366(2) 5.034(4) 158.94(16) yes
_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.
;
_shelx_estimated_absorpt_T_min     ?
_shelx_estimated_absorpt_T_max     ?
