##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# 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 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. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
# cif/home.html                                                              #
#                                                                            #
#            Copyright International Union of Crystallography                #
#                                                                            #
##############################################################################
                                             
data_3
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
5-(4-Methoxybenzoyl)-4-(4-methoxyphenyl)1-[1-(4-
methoxyphenyl)ethylidenenamino]pyrimidin-2(1H)-one
;
_chemical_name_common     ?
_chemical_formula_moiety     'C27 H23 N3 O5'
_chemical_formula_sum     'C27 H23 N3 O5'
_chemical_formula_iupac     'C27 H23 N3 O5'
_chemical_formula_weight     469.48
_chemical_melting_point     ?
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     8.1127(7)
_cell_length_b     10.9405(9)
_cell_length_c     13.9263(11)
_cell_angle_alpha     77.147(7)
_cell_angle_beta     83.542(7)
_cell_angle_gamma     76.749(7)
_cell_volume     1170.54(17)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     15633
_cell_measurement_theta_min     1.95
_cell_measurement_theta_max     28.77
_cell_measurement_temperature     296
_exptl_crystal_description     'plate'
_exptl_crystal_colour     'colorless'
_exptl_crystal_size_max     0.460
_exptl_crystal_size_mid     0.267
_exptl_crystal_size_min     0.070
_exptl_crystal_density_diffrn     1.332
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     492
_exptl_absorpt_coefficient_mu     0.093
_exptl_absorpt_correction_type     integration
_exptl_absorpt_process_details     '(X-RED32; Stoe & Cie, 2002)'
_exptl_absorpt_correction_T_min     0.9654
_exptl_absorpt_correction_T_max     0.9937
_exptl_special_details
;
;
_diffrn_ambient_temperature     296
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'sealed X-ray tube'
_diffrn_radiation_monochromator     'plane graphite'
_diffrn_measurement_device_type     'Stoe IPDS-2'
_diffrn_measurement_method     w
_diffrn_detector_area_resol_mean     6.67
_diffrn_reflns_number     12784
_diffrn_reflns_av_R_equivalents     0.0608
_diffrn_reflns_av_sigmaI/netI     0.0505
_diffrn_reflns_theta_min     1.95
_diffrn_reflns_theta_max     25.00
_diffrn_reflns_theta_full     25.00
_diffrn_measured_fraction_theta_max     0.999
_diffrn_measured_fraction_theta_full     0.999
_diffrn_reflns_limit_h_min     -9
_diffrn_reflns_limit_h_max     9
_diffrn_reflns_limit_k_min     -13
_diffrn_reflns_limit_k_max     13
_diffrn_reflns_limit_l_min     -16
_diffrn_reflns_limit_l_max     16
_diffrn_standards_number     0
_diffrn_standards_interval_count     0
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     0
_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.
;
_reflns_number_total     4119
_reflns_number_gt     2655
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0843
_refine_ls_R_factor_gt     0.0510
_refine_ls_wR_factor_gt     0.1283
_refine_ls_wR_factor_ref     0.1431
_refine_ls_goodness_of_fit_ref     1.014
_refine_ls_restrained_S_all     1.014
_refine_ls_number_reflns     4119
_refine_ls_number_parameters     316
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
             'calc w = 1/[σ²(Fo²)+(0.0787P)²] where P = (Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.518
_refine_diff_density_min     -0.192
_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'
    '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     'X-AREA (Stoe & Cie, 2002)'
_computing_cell_refinement     'X-AREA'
_computing_data_reduction     'X-RED32 (Stoe & Cie, 2002)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material
                                   'WinGX publication routines (Farrugia, 1999)'
loop_
    _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_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    _atom_site_type_symbol
    O1 -0.5455(3) 0.3112(2) 0.93913(12) 0.0817(6) Uani d . 1 . . O
    O2 -0.2904(2) 0.50032(19) 0.50724(12) 0.0710(5) Uani d . 1 . . O
    O3 -0.2300(3) 1.0589(2) 0.5215(2) 0.1080(8) Uani d . 1 . . O
    O4 0.2983(2) 0.65841(17) 0.79851(11) 0.0597(5) Uani d . 1 . . O
    O5 -1.1885(3) -0.0808(2) 0.84405(19) 0.0965(7) Uani d . 1 . . O
    N1 -0.3494(2) 0.42094(19) 0.85484(13) 0.0509(5) Uani d . 1 . . N
    N2 -0.5262(2) 0.34252(18) 0.77080(13) 0.0495(5) Uani d . 1 . . N
    N3 -0.6249(3) 0.25214(19) 0.76694(14) 0.0556(5) Uani d . 1 . . N
    C1 -0.2875(3) 0.4783(2) 0.76965(15) 0.0448(5) Uani d . 1 . . C
    C2 -0.4779(3) 0.3576(2) 0.86157(16) 0.0565(6) Uani d . 1 . . C
    C3 -0.4664(3) 0.4029(2) 0.68417(16) 0.0498(5) Uani d . 1 . . C
    H3 -0.5031 0.3924 0.6262 0.060 Uiso calc R 1 . . H
    C4 -0.3534(3) 0.4792(2) 0.67844(15) 0.0450(5) Uani d . 1 . . C
    C5 -0.3115(3) 0.5529(2) 0.57783(16) 0.0506(6) Uani d . 1 . . C
    C6 -0.3001(3) 0.6878(2) 0.56547(16) 0.0512(6) Uani d . 1 . . C
    C7 -0.1985(4) 0.7406(3) 0.48683(19) 0.0701(7) Uani d . 1 . . C
    H7 -0.1435 0.6913 0.4415 0.084 Uiso calc R 1 . . H
    C8 -0.1789(4) 0.8634(3) 0.4757(2) 0.0826(9) Uani d . 1 . . C
    H8 -0.1087 0.8967 0.4238 0.099 Uiso calc R 1 . . H
    C9 -0.2622(4) 0.9385(3) 0.5407(2) 0.0746(8) Uani d . 1 . . C
    C10 -0.3675(4) 0.8899(3) 0.6175(2) 0.0725(7) Uani d . 1 . . C
    H10 -0.4266 0.9411 0.6606 0.087 Uiso calc R 1 . . H
    C11 -0.3840(3) 0.7649(2) 0.62953(18) 0.0619(6) Uani d . 1 . . C
    H11 -0.4532 0.7316 0.6820 0.074 Uiso calc R 1 . . H
    C12 -0.3106(5) 1.1400(4) 0.5802(3) 0.1132(12) Uani d . 1 . . C
    H12A -0.2766 1.2207 0.5588 0.170 Uiso calc R 1 . . H
    H12B -0.2815 1.1041 0.6471 0.170 Uiso calc R 1 . . H
    H12C -0.4310 1.1528 0.5766 0.170 Uiso calc R 1 . . H
    C13 -0.1378(3) 0.5313(2) 0.77558(14) 0.0428(5) Uani d . 1 . . C
    C14 -0.0098(3) 0.5388(2) 0.69996(15) 0.0457(5) Uani d . 1 . . C
    H14 -0.0204 0.5129 0.6421 0.055 Uiso calc R 1 . . H
    C15 0.1311(3) 0.5834(2) 0.70897(15) 0.0475(5) Uani d . 1 . . C
    H15 0.2131 0.5899 0.6568 0.057 Uiso calc R 1 . . H
    C16 0.1515(3) 0.6189(2) 0.79550(15) 0.0475(5) Uani d . 1 . . C
    C17 0.0267(3) 0.6125(2) 0.87214(16) 0.0517(6) Uani d . 1 . . C
    H17 0.0390 0.6370 0.9303 0.062 Uiso calc R 1 . . H
    C18 -0.1160(3) 0.5696(2) 0.86121(15) 0.0499(6) Uani d . 1 . . C
    H18 -0.1999 0.5663 0.9125 0.060 Uiso calc R 1 . . H
    C19 0.3380(3) 0.6786(3) 0.89034(19) 0.0677(7) Uani d . 1 . . C
    H19A 0.4439 0.7060 0.8819 0.102 Uiso calc R 1 . . H
    H19B 0.3469 0.6000 0.9386 0.102 Uiso calc R 1 . . H
    H19C 0.2498 0.7433 0.9122 0.102 Uiso calc R 1 . . H
    C20 -0.7608(3) 0.2585(2) 0.82336(17) 0.0531(6) Uani d . 1 . . C
    H20 -0.7903 0.3219 0.8607 0.064 Uiso calc R 1 . . H
    C21 -0.8695(3) 0.1685(2) 0.83012(17) 0.0506(5) Uani d . 1 . . C
    C22 -0.8279(4) 0.0664(3) 0.7813(2) 0.0691(7) Uani d . 1 . . C
    H22 -0.7251 0.0526 0.7442 0.083 Uiso calc R 1 . . H
    C23 -0.9376(4) -0.0135(3) 0.7876(2) 0.0780(8) Uani d . 1 . . C
    H23 -0.9094 -0.0806 0.7538 0.094 Uiso calc R 1 . . H
    C24 -1.0897(3) 0.0041(2) 0.8435(2) 0.0651(7) Uani d . 1 . . C
    C25 -1.1306(3) 0.1018(3) 0.8944(2) 0.0650(7) Uani d . 1 . . C
    H25 -1.2311 0.1129 0.9339 0.078 Uiso calc R 1 . . H
    C26 -1.0206(3) 0.1838(3) 0.88632(19) 0.0603(6) Uani d . 1 . . C
    H26 -1.0497 0.2512 0.9198 0.072 Uiso calc R 1 . . H
    C27 -1.3447(5) -0.0696(4) 0.9016(3) 0.1079(12) Uani d . 1 . . C
    H27A -1.4008 -0.1354 0.8951 0.162 Uiso calc R 1 . . H
    H27B -1.4154 0.0131 0.8791 0.162 Uiso calc R 1 . . H
    H27C -1.3238 -0.0789 0.9696 0.162 Uiso calc R 1 . . H
_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
    O1 C2 . 1.215(3) yes
    O2 C5 . 1.223(3) no
    O3 C12 . 1.349(4) no
    O3 C9 . 1.363(3) no
    O4 C16 . 1.365(3) no
    O4 C19 . 1.428(3) no
    O5 C24 . 1.357(3) no
    O5 C27 . 1.417(4) no
    N1 C1 . 1.316(3) yes
    N1 C2 . 1.362(3) yes
    N2 C3 . 1.337(3) yes
    N2 C2 . 1.419(3) yes
    N2 N3 . 1.420(2) ?
    N3 C20 . 1.278(3) yes
    C1 C4 . 1.430(3) yes
    C1 C13 . 1.478(3) no
    C3 C4 . 1.359(3) yes
    C3 H3 . 0.9300 ?
    C4 C5 . 1.498(3) yes
    C5 C6 . 1.470(3) ?
    C6 C11 . 1.381(3) ?
    C6 C7 . 1.395(3) ?
    C7 C8 . 1.363(4) ?
    C7 H7 . 0.9300 ?
    C8 C9 . 1.374(4) ?
    C8 H8 . 0.9300 ?
    C9 C10 . 1.380(4) ?
    C10 C11 . 1.376(4) ?
    C10 H10 . 0.9300 ?
    C11 H11 . 0.9300 ?
    C12 H12A . 0.9600 ?
    C12 H12B . 0.9600 ?
    C12 H12C . 0.9600 ?
    C13 C18 . 1.391(3) ?
    C13 C14 . 1.396(3) ?
    C14 C15 . 1.369(3) ?
    C14 H14 . 0.9300 ?
    C15 C16 . 1.383(3) ?
    C15 H15 . 0.9300 ?
    C16 C17 . 1.388(3) ?
    C17 C18 . 1.380(3) ?
    C17 H17 . 0.9300 ?
    C18 H18 . 0.9300 ?
    C19 H19A . 0.9600 ?
    C19 H19B . 0.9600 ?
    C19 H19C . 0.9600 ?
    C20 C21 . 1.447(3) no
    C20 H20 . 0.9300 ?
    C21 C26 . 1.376(3) ?
    C21 C22 . 1.391(3) ?
    C22 C23 . 1.368(4) ?
    C22 H22 . 0.9300 ?
    C23 C24 . 1.381(4) ?
    C23 H23 . 0.9300 ?
    C24 C25 . 1.370(4) ?
    C25 C26 . 1.382(3) ?
    C25 H25 . 0.9300 ?
    C26 H26 . 0.9300 ?
    C27 H27A . 0.9600 ?
    C27 H27B . 0.9600 ?
    C27 H27C . 0.9600 ?
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
    C12 O3 C9 . . 118.1(3) ?
    C16 O4 C19 . . 118.25(17) ?
    C24 O5 C27 . . 118.5(3) ?
    C1 N1 C2 . . 122.31(19) ?
    C3 N2 C2 . . 121.47(18) ?
    C3 N2 N3 . . 116.41(18) ?
    C2 N2 N3 . . 121.76(18) ?
    C20 N3 N2 . . 115.2(2) ?
    N1 C1 C4 . . 121.7(2) ?
    N1 C1 C13 . . 114.86(19) ?
    C4 C1 C13 . . 123.25(19) ?
    O1 C2 N1 . . 124.0(2) ?
    O1 C2 N2 . . 120.2(2) ?
    N1 C2 N2 . . 115.83(19) ?
    N2 C3 C4 . . 121.9(2) ?
    N2 C3 H3 . . 119.1 ?
    C4 C3 H3 . . 119.1 ?
    C3 C4 C1 . . 115.7(2) ?
    C3 C4 C5 . . 116.51(19) ?
    C1 C4 C5 . . 127.80(19) yes
    O2 C5 C6 . . 121.2(2) ?
    O2 C5 C4 . . 119.3(2) ?
    C6 C5 C4 . . 119.44(19) ?
    C11 C6 C7 . . 118.1(2) ?
    C11 C6 C5 . . 122.8(2) ?
    C7 C6 C5 . . 119.1(2) ?
    C8 C7 C6 . . 120.7(3) ?
    C8 C7 H7 . . 119.7 ?
    C6 C7 H7 . . 119.7 ?
    C7 C8 C9 . . 120.4(3) ?
    C7 C8 H8 . . 119.8 ?
    C9 C8 H8 . . 119.8 ?
    O3 C9 C8 . . 114.3(3) ?
    O3 C9 C10 . . 125.7(3) yes
    C8 C9 C10 . . 120.0(3) ?
    C11 C10 C9 . . 119.3(3) ?
    C11 C10 H10 . . 120.4 ?
    C9 C10 H10 . . 120.4 ?
    C10 C11 C6 . . 121.5(2) ?
    C10 C11 H11 . . 119.3 ?
    C6 C11 H11 . . 119.3 ?
    O3 C12 H12A . . 109.5 ?
    O3 C12 H12B . . 109.5 ?
    H12A C12 H12B . . 109.5 ?
    O3 C12 H12C . . 109.5 ?
    H12A C12 H12C . . 109.5 ?
    H12B C12 H12C . . 109.5 ?
    C18 C13 C14 . . 117.39(19) ?
    C18 C13 C1 . . 119.84(19) ?
    C14 C13 C1 . . 122.69(18) yes
    C15 C14 C13 . . 121.53(19) ?
    C15 C14 H14 . . 119.2 ?
    C13 C14 H14 . . 119.2 ?
    C14 C15 C16 . . 120.1(2) ?
    C14 C15 H15 . . 120.0 ?
    C16 C15 H15 . . 120.0 ?
    O4 C16 C15 . . 115.74(19) ?
    O4 C16 C17 . . 124.44(19) ?
    C15 C16 C17 . . 119.82(19) ?
    C18 C17 C16 . . 119.39(19) ?
    C18 C17 H17 . . 120.3 ?
    C16 C17 H17 . . 120.3 ?
    C17 C18 C13 . . 121.8(2) ?
    C17 C18 H18 . . 119.1 ?
    C13 C18 H18 . . 119.1 ?
    O4 C19 H19A . . 109.5 ?
    O4 C19 H19B . . 109.5 ?
    H19A C19 H19B . . 109.5 ?
    O4 C19 H19C . . 109.5 ?
    H19A C19 H19C . . 109.5 ?
    H19B C19 H19C . . 109.5 ?
    N3 C20 C21 . . 121.0(2) yes
    N3 C20 H20 . . 119.5 ?
    C21 C20 H20 . . 119.5 ?
    C26 C21 C22 . . 118.1(2) ?
    C26 C21 C20 . . 119.3(2) ?
    C22 C21 C20 . . 122.6(2) yes
    C23 C22 C21 . . 120.3(3) ?
    C23 C22 H22 . . 119.9 ?
    C21 C22 H22 . . 119.9 ?
    C22 C23 C24 . . 120.8(3) ?
    C22 C23 H23 . . 119.6 ?
    C24 C23 H23 . . 119.6 ?
    O5 C24 C25 . . 124.6(3) ?
    O5 C24 C23 . . 115.6(2) ?
    C25 C24 C23 . . 119.7(2) ?
    C24 C25 C26 . . 119.2(2) ?
    C24 C25 H25 . . 120.4 ?
    C26 C25 H25 . . 120.4 ?
    C21 C26 C25 . . 121.9(2) ?
    C21 C26 H26 . . 119.1 ?
    C25 C26 H26 . . 119.1 ?
    O5 C27 H27A . . 109.5 ?
    O5 C27 H27B . . 109.5 ?
    H27A C27 H27B . . 109.5 ?
    O5 C27 H27C . . 109.5 ?
    H27A C27 H27C . . 109.5 ?
    H27B C27 H27C . . 109.5 ?
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
    C3 N2 N3 C20 . . . . -135.3(2) yes
    C2 N2 N3 C20 . . . . 51.5(3) ?
    C2 N1 C1 C4 . . . . 0.9(4) ?
    C2 N1 C1 C13 . . . . -174.3(2) ?
    C1 N1 C2 O1 . . . . -174.8(3) ?
    C1 N1 C2 N2 . . . . 8.0(3) ?
    C3 N2 C2 O1 . . . . 173.3(2) ?
    N3 N2 C2 O1 . . . . -13.8(4) ?
    C3 N2 C2 N1 . . . . -9.4(3) ?
    N3 N2 C2 N1 . . . . 163.5(2) ?
    C2 N2 C3 C4 . . . . 1.6(3) ?
    N3 N2 C3 C4 . . . . -171.6(2) ?
    N2 C3 C4 C1 . . . . 7.3(3) ?
    N2 C3 C4 C5 . . . . -173.3(2) ?
    N1 C1 C4 C3 . . . . -8.8(3) ?
    C13 C1 C4 C3 . . . . 166.1(2) ?
    N1 C1 C4 C5 . . . . 171.9(2) ?
    C13 C1 C4 C5 . . . . -13.3(4) ?
    C3 C4 C5 O2 . . . . -41.5(3) ?
    C1 C4 C5 O2 . . . . 137.8(2) ?
    C3 C4 C5 C6 . . . . 137.2(2) yes
    C1 C4 C5 C6 . . . . -43.5(3) ?
    O2 C5 C6 C11 . . . . 153.8(2) ?
    C4 C5 C6 C11 . . . . -24.9(3) ?
    O2 C5 C6 C7 . . . . -27.3(3) ?
    C4 C5 C6 C7 . . . . 154.0(2) yes
    C11 C6 C7 C8 . . . . 2.0(4) ?
    C5 C6 C7 C8 . . . . -177.0(3) ?
    C6 C7 C8 C9 . . . . -1.5(5) ?
    C12 O3 C9 C8 . . . . 178.1(3) ?
    C12 O3 C9 C10 . . . . -2.0(5) ?
    C7 C8 C9 O3 . . . . 179.4(3) ?
    C7 C8 C9 C10 . . . . -0.5(5) ?
    O3 C9 C10 C11 . . . . -178.1(3) ?
    C8 C9 C10 C11 . . . . 1.8(5) ?
    C9 C10 C11 C6 . . . . -1.2(4) ?
    C7 C6 C11 C10 . . . . -0.6(4) ?
    C5 C6 C11 C10 . . . . 178.3(2) ?
    N1 C1 C13 C18 . . . . -27.9(3) ?
    C4 C1 C13 C18 . . . . 156.9(2) ?
    N1 C1 C13 C14 . . . . 148.6(2) ?
    C4 C1 C13 C14 . . . . -26.6(3) ?
    C18 C13 C14 C15 . . . . -0.7(3) ?
    C1 C13 C14 C15 . . . . -177.3(2) ?
    C13 C14 C15 C16 . . . . 1.9(3) ?
    C19 O4 C16 C15 . . . . -171.2(2) ?
    C19 O4 C16 C17 . . . . 8.7(4) ?
    C14 C15 C16 O4 . . . . 178.1(2) ?
    C14 C15 C16 C17 . . . . -1.8(4) ?
    O4 C16 C17 C18 . . . . -179.3(2) ?
    C15 C16 C17 C18 . . . . 0.6(4) ?
    C16 C17 C18 C13 . . . . 0.6(4) ?
    C14 C13 C18 C17 . . . . -0.6(3) ?
    C1 C13 C18 C17 . . . . 176.1(2) ?
    N2 N3 C20 C21 . . . . -177.2(2) ?
    N3 C20 C21 C26 . . . . -175.5(2) ?
    N3 C20 C21 C22 . . . . 4.1(4) ?
    C26 C21 C22 C23 . . . . 1.7(4) ?
    C20 C21 C22 C23 . . . . -177.9(3) ?
    C21 C22 C23 C24 . . . . -1.0(5) ?
    C27 O5 C24 C25 . . . . -0.6(4) ?
    C27 O5 C24 C23 . . . . 178.8(3) ?
    C22 C23 C24 O5 . . . . 179.8(3) ?
    C22 C23 C24 C25 . . . . -0.8(5) ?
    O5 C24 C25 C26 . . . . -178.7(3) ?
    C23 C24 C25 C26 . . . . 2.0(4) ?
    C22 C21 C26 C25 . . . . -0.5(4) ?
    C20 C21 C26 C25 . . . . 179.1(2) ?
    C24 C25 C26 C21 . . . . -1.3(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
    C20 H20 O1 . 0.93 2.34 2.737(3) 105 yes
    C11 H11 O4 1_455 0.93 2.60 3.512(3) 166 yes
    C3 H3 O2 2_466 0.93 2.54 3.330(3) 143 yes
    C15 H15 O2 2_566 0.93 2.64 3.374(3) 136 no
data_global
_journal_date_recd_electronic     2005-01-04
_journal_date_accepted     2005-02-07
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2005
_journal_volume     61
_journal_issue      3
_journal_page_first     o637
_journal_page_last     o638
_journal_paper_category     EO
_publ_contact_author
;
      Suzan Özçelik
      Ondokuz Mayıs University
      Arts and Sciences Faculty
      Department of Physics
      55139-Samsun
      Turkey
;
_publ_contact_author_email     mdincer@omu.edu.tr
_publ_contact_author_fax     '(+90)  362 457 60 81'
_publ_contact_author_phone     '(+90) 362 457 60 20 /5060'
_publ_section_title
;
5-(4-Methoxybenzoyl)-4-(4-methoxyphenyl)1-[1-(4-
methoxyphenyl)ethylidenenamino]pyrimidin-2(1H)-one
;
loop_
    _publ_author_name
    _publ_author_address
    'Özçelik, Suzan'
;
Ondokuz Mayıs University
Arts and Sciences Faculty
Department of Physics
55139 Samsun
Turkey
;
    'Dinçer, Muharrem'
;
Ondokuz Mayıs University
Arts and Sciences Faculty
Department of Physics
55139 Samsun
Turkey
;
    'Sarıpınar, Emin'
;
Erciyes University
Arts and Sciences Faculty
Department of Chemistry
38039 Kayseri
Turkey
;
    'Yılmaz, Çiğdem'
;
Erciyes University
Arts and Sciences Faculty
Department of Chemistry
38039 Kayseri
Turkey
;
