# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_khc686h
_audit_block_doi                 10.5517/cc1j6g4b
_database_code_depnum_ccdc_archive 'CCDC 1406381'
_audit_update_record             
;
2015-06-11 deposited with the CCDC.
2015-08-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
4-Methyl-N-((7-methyl-2-phenylH-imidazo[1,2-a]pyridin-3-yl)(p-tolyl)methyl)pyridin-2-amine
_chemical_name_common            ?
_chemical_melting_point          447-448
_chemical_formula_moiety         'C28 H26 N4'
_chemical_formula_sum            'C28 H26 N4'
_chemical_formula_weight         418.53

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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'

loop_
_symmetry_equiv_pos_as_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                   10.435(2)
_cell_length_b                   9.767(2)
_cell_length_c                   22.811(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.83(3)
_cell_angle_gamma                90.00
_cell_volume                     2319.7(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    6239
_cell_measurement_theta_min      2.75
_cell_measurement_theta_max      29.16

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.198
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             888
_exptl_absorpt_coefficient_mu    0.072
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean '0.15 mm'
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            17754
_diffrn_reflns_av_R_equivalents  0.0635
_diffrn_reflns_av_sigmaI/netI    0.0629
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         2.75
_diffrn_reflns_theta_max         29.16
_reflns_number_total             6239
_reflns_number_gt                4367
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'X-Area (Stoe & Cie GmbH, 2005)'
_computing_cell_refinement       'X-Area (Stoe & Cie GmbH, 2005)'
_computing_data_reduction        'X-Area (Stoe & Cie GmbH, 2005)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0600P)²+0.6572P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6239
_refine_ls_number_parameters     296
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0997
_refine_ls_R_factor_gt           0.0621
_refine_ls_wR_factor_ref         0.1381
_refine_ls_wR_factor_gt          0.1235
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_restrained_S_all      1.035
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
N1 N 0.21439(13) 0.91611(15) 0.10172(6) 0.0179(3) Uani 1 1 d . . .
N2 N 0.09431(13) 0.74193(16) 0.13259(6) 0.0211(3) Uani 1 1 d . . .
N3 N 0.47053(14) 0.85531(15) 0.05443(6) 0.0180(3) Uani 1 1 d . . .
N4 N 0.47473(13) 0.82801(15) -0.04510(6) 0.0192(3) Uani 1 1 d . . .
C1 C 0.23394(17) 1.04238(18) 0.07729(8) 0.0211(3) Uani 1 1 d . . .
H1 H 0.3185 1.0740 0.0721 0.025 Uiso 1 1 calc R . .
C2 C 0.13104(17) 1.12095(19) 0.06075(8) 0.0239(4) Uani 1 1 d . . .
H2 H 0.1444 1.2081 0.0437 0.029 Uiso 1 1 calc R . .
C3 C 0.00338(17) 1.0767(2) 0.06825(8) 0.0245(4) Uani 1 1 d . . .
C4 C -0.10772(19) 1.1706(2) 0.05041(9) 0.0335(5) Uani 1 1 d . . .
H4A H -0.1886 1.1198 0.0513 0.050 Uiso 1 1 calc R . .
H4B H -0.0982 1.2049 0.0106 0.050 Uiso 1 1 calc R . .
H4C H -0.1084 1.2479 0.0778 0.050 Uiso 1 1 calc R . .
C5 C -0.01516(17) 0.9506(2) 0.09192(8) 0.0243(4) Uani 1 1 d . . .
H5 H -0.0999 0.9192 0.0969 0.029 Uiso 1 1 calc R . .
C6 C 0.09105(16) 0.86620(18) 0.10915(7) 0.0200(3) Uani 1 1 d . . .
C7 C 0.22274(16) 0.71126(17) 0.14088(7) 0.0184(3) Uani 1 1 d . . .
C8 C 0.26540(16) 0.57998(18) 0.16747(7) 0.0197(3) Uani 1 1 d . . .
C9 C 0.19771(19) 0.45994(19) 0.15349(8) 0.0264(4) Uani 1 1 d . . .
H9 H 0.1254 0.4626 0.1259 0.032 Uiso 1 1 calc R . .
C10 C 0.2351(2) 0.3368(2) 0.17959(9) 0.0330(5) Uani 1 1 d . . .
H10 H 0.1885 0.2556 0.1697 0.040 Uiso 1 1 calc R . .
C11 C 0.3401(2) 0.3316(2) 0.21997(9) 0.0331(5) Uani 1 1 d . . .
H11 H 0.3654 0.2471 0.2378 0.040 Uiso 1 1 calc R . .
C12 C 0.40767(19) 0.4493(2) 0.23424(9) 0.0306(4) Uani 1 1 d . . .
H12 H 0.4797 0.4457 0.2620 0.037 Uiso 1 1 calc R . .
C13 C 0.37138(18) 0.5735(2) 0.20844(8) 0.0244(4) Uani 1 1 d . . .
H13 H 0.4186 0.6542 0.2186 0.029 Uiso 1 1 calc R . .
C14 C 0.29935(15) 0.81490(17) 0.12196(7) 0.0169(3) Uani 1 1 d . . .
C15 C 0.44123(15) 0.81903(17) 0.11397(7) 0.0164(3) Uani 1 1 d . . .
H15 H 0.4740 0.7238 0.1210 0.020 Uiso 1 1 calc R . .
C16 C 0.51895(15) 0.91141(17) 0.15732(7) 0.0170(3) Uani 1 1 d . . .
C17 C 0.46978(16) 0.95773(18) 0.20865(8) 0.0209(3) Uani 1 1 d . . .
H17 H 0.3841 0.9356 0.2167 0.025 Uiso 1 1 calc R . .
C18 C 0.54523(17) 1.03673(19) 0.24858(8) 0.0226(4) Uani 1 1 d . . .
H18 H 0.5107 1.0659 0.2840 0.027 Uiso 1 1 calc R . .
C19 C 0.66988(17) 1.07347(18) 0.23751(8) 0.0226(4) Uani 1 1 d . . .
C20 C 0.7492(2) 1.1633(2) 0.27948(9) 0.0322(4) Uani 1 1 d . . .
H20A H 0.8259 1.1132 0.2945 0.048 Uiso 1 1 calc R . .
H20B H 0.6983 1.1892 0.3123 0.048 Uiso 1 1 calc R . .
H20C H 0.7752 1.2459 0.2589 0.048 Uiso 1 1 calc R . .
C21 C 0.71883(16) 1.02594(18) 0.18600(8) 0.0219(4) Uani 1 1 d . . .
H21 H 0.8042 1.0491 0.1777 0.026 Uiso 1 1 calc R . .
C22 C 0.64535(16) 0.94541(18) 0.14648(8) 0.0197(3) Uani 1 1 d . . .
H22 H 0.6812 0.9132 0.1118 0.024 Uiso 1 1 calc R . .
C23 C 0.44097(15) 0.77513(17) 0.00616(7) 0.0170(3) Uani 1 1 d . . .
C24 C 0.38160(16) 0.64671(17) 0.00964(8) 0.0189(3) Uani 1 1 d . . .
H24 H 0.3574 0.6131 0.0464 0.023 Uiso 1 1 calc R . .
C25 C 0.35838(16) 0.56911(18) -0.04092(8) 0.0221(4) Uani 1 1 d . . .
C26 C 0.2905(2) 0.43335(19) -0.03845(9) 0.0299(4) Uani 1 1 d . . .
H26A H 0.3038 0.3950 0.0012 0.045 Uiso 1 1 calc R . .
H26B H 0.3252 0.3703 -0.0668 0.045 Uiso 1 1 calc R . .
H26C H 0.1984 0.4464 -0.0481 0.045 Uiso 1 1 calc R . .
C27 C 0.39719(18) 0.62278(19) -0.09352(8) 0.0251(4) Uani 1 1 d . . .
H27 H 0.3849 0.5722 -0.1290 0.030 Uiso 1 1 calc R . .
C28 C 0.45356(17) 0.75029(19) -0.09325(8) 0.0231(4) Uani 1 1 d . . .
H28 H 0.4791 0.7855 -0.1295 0.028 Uiso 1 1 calc R . .
H3 H 0.4923(19) 0.937(2) 0.0481(8) 0.017(5) Uiso 1 1 d . . .


_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_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
N1 C1 1.374(2) . ?
N1 C14 1.386(2) . ?
N1 C6 1.397(2) . ?
N2 C6 1.326(2) . ?
N2 C7 1.374(2) . ?
N3 C23 1.369(2) . ?
N3 C15 1.456(2) . ?
N3 H3 0.85(2) . ?
N4 C28 1.341(2) . ?
N4 C23 1.347(2) . ?
C1 C2 1.353(2) . ?
C1 H1 0.9500 . ?
C2 C3 1.422(3) . ?
C2 H2 0.9500 . ?
C3 C5 1.363(3) . ?
C3 C4 1.512(2) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.416(2) . ?
C5 H5 0.9500 . ?
C7 C14 1.377(2) . ?
C7 C8 1.474(2) . ?
C8 C9 1.395(3) . ?
C8 C13 1.401(2) . ?
C9 C10 1.386(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.384(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.376(3) . ?
C11 H11 0.9500 . ?
C12 C13 1.389(3) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 C15 1.504(2) . ?
C15 C16 1.530(2) . ?
C15 H15 1.0000 . ?
C16 C17 1.385(2) . ?
C16 C22 1.398(2) . ?
C17 C18 1.396(2) . ?
C17 H17 0.9500 . ?
C18 C19 1.389(3) . ?
C18 H18 0.9500 . ?
C19 C21 1.392(3) . ?
C19 C20 1.505(2) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.388(2) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C24 1.404(2) . ?
C24 C25 1.388(2) . ?
C24 H24 0.9500 . ?
C25 C27 1.394(3) . ?
C25 C26 1.506(3) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C28 1.377(3) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?

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
C1 N1 C14 131.76(14) . . ?
C1 N1 C6 121.69(14) . . ?
C14 N1 C6 106.53(14) . . ?
C6 N2 C7 104.69(14) . . ?
C23 N3 C15 124.12(14) . . ?
C23 N3 H3 116.9(13) . . ?
C15 N3 H3 117.7(13) . . ?
C28 N4 C23 117.11(15) . . ?
C2 C1 N1 119.05(16) . . ?
C2 C1 H1 120.5 . . ?
N1 C1 H1 120.5 . . ?
C1 C2 C3 121.79(17) . . ?
C1 C2 H2 119.1 . . ?
C3 C2 H2 119.1 . . ?
C5 C3 C2 118.75(16) . . ?
C5 C3 C4 121.84(18) . . ?
C2 C3 C4 119.40(18) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C3 C5 C6 120.45(17) . . ?
C3 C5 H5 119.8 . . ?
C6 C5 H5 119.8 . . ?
N2 C6 N1 111.68(14) . . ?
N2 C6 C5 130.07(16) . . ?
N1 C6 C5 118.25(16) . . ?
N2 C7 C14 112.21(15) . . ?
N2 C7 C8 120.74(15) . . ?
C14 C7 C8 127.05(15) . . ?
C9 C8 C13 118.66(17) . . ?
C9 C8 C7 120.18(15) . . ?
C13 C8 C7 121.13(16) . . ?
C10 C9 C8 120.48(18) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
C11 C10 C9 120.34(19) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
C12 C11 C10 119.79(18) . . ?
C12 C11 H11 120.1 . . ?
C10 C11 H11 120.1 . . ?
C11 C12 C13 120.53(19) . . ?
C11 C12 H12 119.7 . . ?
C13 C12 H12 119.7 . . ?
C12 C13 C8 120.19(18) . . ?
C12 C13 H13 119.9 . . ?
C8 C13 H13 119.9 . . ?
C7 C14 N1 104.88(14) . . ?
C7 C14 C15 130.88(15) . . ?
N1 C14 C15 123.59(14) . . ?
N3 C15 C14 112.92(13) . . ?
N3 C15 C16 108.91(13) . . ?
C14 C15 C16 114.89(14) . . ?
N3 C15 H15 106.5 . . ?
C14 C15 H15 106.5 . . ?
C16 C15 H15 106.5 . . ?
C17 C16 C22 118.62(15) . . ?
C17 C16 C15 121.90(15) . . ?
C22 C16 C15 119.42(15) . . ?
C16 C17 C18 120.49(16) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 H17 119.8 . . ?
C19 C18 C17 121.22(17) . . ?
C19 C18 H18 119.4 . . ?
C17 C18 H18 119.4 . . ?
C18 C19 C21 117.93(16) . . ?
C18 C19 C20 121.13(17) . . ?
C21 C19 C20 120.93(17) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 C19 121.29(16) . . ?
C22 C21 H21 119.4 . . ?
C19 C21 H21 119.4 . . ?
C21 C22 C16 120.42(16) . . ?
C21 C22 H22 119.8 . . ?
C16 C22 H22 119.8 . . ?
N4 C23 N3 114.90(15) . . ?
N4 C23 C24 122.26(15) . . ?
N3 C23 C24 122.83(15) . . ?
C25 C24 C23 119.63(16) . . ?
C25 C24 H24 120.2 . . ?
C23 C24 H24 120.2 . . ?
C24 C25 C27 117.73(16) . . ?
C24 C25 C26 120.41(17) . . ?
C27 C25 C26 121.84(17) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 C25 118.99(17) . . ?
C28 C27 H27 120.5 . . ?
C25 C27 H27 120.5 . . ?
N4 C28 C27 124.23(17) . . ?
N4 C28 H28 117.9 . . ?
C27 C28 H28 117.9 . . ?

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
_geom_torsion_publ_flag
C14 N1 C1 C2 179.42(17) . . . . ?
C6 N1 C1 C2 0.9(2) . . . . ?
N1 C1 C2 C3 0.3(3) . . . . ?
C1 C2 C3 C5 -1.1(3) . . . . ?
C1 C2 C3 C4 178.39(17) . . . . ?
C2 C3 C5 C6 0.6(3) . . . . ?
C4 C3 C5 C6 -178.85(17) . . . . ?
C7 N2 C6 N1 0.42(19) . . . . ?
C7 N2 C6 C5 -179.19(18) . . . . ?
C1 N1 C6 N2 179.00(15) . . . . ?
C14 N1 C6 N2 0.14(19) . . . . ?
C1 N1 C6 C5 -1.3(2) . . . . ?
C14 N1 C6 C5 179.81(15) . . . . ?
C3 C5 C6 N2 -179.84(18) . . . . ?
C3 C5 C6 N1 0.6(3) . . . . ?
C6 N2 C7 C14 -0.86(19) . . . . ?
C6 N2 C7 C8 179.00(15) . . . . ?
N2 C7 C8 C9 38.7(2) . . . . ?
C14 C7 C8 C9 -141.41(18) . . . . ?
N2 C7 C8 C13 -139.17(17) . . . . ?
C14 C7 C8 C13 40.7(3) . . . . ?
C13 C8 C9 C10 -0.2(3) . . . . ?
C7 C8 C9 C10 -178.17(17) . . . . ?
C8 C9 C10 C11 0.1(3) . . . . ?
C9 C10 C11 C12 0.0(3) . . . . ?
C10 C11 C12 C13 0.0(3) . . . . ?
C11 C12 C13 C8 -0.1(3) . . . . ?
C9 C8 C13 C12 0.2(3) . . . . ?
C7 C8 C13 C12 178.12(17) . . . . ?
N2 C7 C14 N1 0.95(19) . . . . ?
C8 C7 C14 N1 -178.90(16) . . . . ?
N2 C7 C14 C15 -169.80(16) . . . . ?
C8 C7 C14 C15 10.3(3) . . . . ?
C1 N1 C14 C7 -179.34(17) . . . . ?
C6 N1 C14 C7 -0.64(17) . . . . ?
C1 N1 C14 C15 -7.7(3) . . . . ?
C6 N1 C14 C15 170.97(15) . . . . ?
C23 N3 C15 C14 -66.3(2) . . . . ?
C23 N3 C15 C16 164.84(14) . . . . ?
C7 C14 C15 N3 122.97(19) . . . . ?
N1 C14 C15 N3 -46.3(2) . . . . ?
C7 C14 C15 C16 -111.3(2) . . . . ?
N1 C14 C15 C16 79.44(19) . . . . ?
N3 C15 C16 C17 144.10(16) . . . . ?
C14 C15 C16 C17 16.3(2) . . . . ?
N3 C15 C16 C22 -38.9(2) . . . . ?
C14 C15 C16 C22 -166.67(15) . . . . ?
C22 C16 C17 C18 0.0(2) . . . . ?
C15 C16 C17 C18 177.07(15) . . . . ?
C16 C17 C18 C19 1.4(3) . . . . ?
C17 C18 C19 C21 -1.7(3) . . . . ?
C17 C18 C19 C20 177.56(17) . . . . ?
C18 C19 C21 C22 0.6(3) . . . . ?
C20 C19 C21 C22 -178.66(17) . . . . ?
C19 C21 C22 C16 0.8(3) . . . . ?
C17 C16 C22 C21 -1.1(2) . . . . ?
C15 C16 C22 C21 -178.23(15) . . . . ?
C28 N4 C23 N3 176.79(14) . . . . ?
C28 N4 C23 C24 -2.4(2) . . . . ?
C15 N3 C23 N4 179.15(14) . . . . ?
C15 N3 C23 C24 -1.7(2) . . . . ?
N4 C23 C24 C25 1.2(2) . . . . ?
N3 C23 C24 C25 -177.87(15) . . . . ?
C23 C24 C25 C27 0.7(2) . . . . ?
C23 C24 C25 C26 -177.80(16) . . . . ?
C24 C25 C27 C28 -1.4(3) . . . . ?
C26 C25 C27 C28 177.07(17) . . . . ?
C23 N4 C28 C27 1.7(3) . . . . ?
C25 C27 C28 N4 0.3(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        29.16
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         0.310
_refine_diff_density_min         -0.244
_refine_diff_density_rms         0.050
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Dihloromethane/ n-hexane'
