#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/01/47/2014705.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2014705
loop_
_publ_author_name
'Wang, Qing'
'Pi, Xiang-Dong'
'Su, Cheng-Yong'
_publ_section_title
;
Bis[4-(3-pyridylmethyleneamino)phenyl]methane
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              o73
_journal_page_last               o74
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          'C25 H20 N4'
_chemical_formula_moiety         'C25 H20 N4'
_chemical_formula_sum            'C25 H20 N4'
_chemical_formula_weight         376.45
_space_group_IT_number           7
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2yc'
_symmetry_space_group_name_H-M   'P 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.394(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   18.7505(10)
_cell_length_b                   4.6414(10)
_cell_length_c                   11.3866(10)
_cell_measurement_temperature    293(2)
_cell_volume                     980.3(2)
_exptl_crystal_density_diffrn    1.275
_[local]_cod_cif_authors_sg_H-M  'P c'
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2014705
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
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
N1 1.38687(18) 0.3314(9) 1.4166(3) 0.0875(12) Uani d . 1 . . N
N2 1.21014(14) -0.0157(6) 1.1031(2) 0.0585(8) Uani d . 1 . . N
N3 0.74195(14) 0.1956(5) 0.6940(2) 0.0434(7) Uani d . 1 . . N
N4 0.60546(19) 0.7947(7) 0.4941(3) 0.0774(10) Uani d . 1 . . N
C1 1.3264(2) 0.1870(10) 1.3719(3) 0.0736(12) Uani d . 1 . . C
C2 1.4176(2) 0.4898(11) 1.3394(5) 0.0833(13) Uani d . 1 . . C
C3 1.3924(2) 0.5013(10) 1.2211(4) 0.0753(12) Uani d . 1 . . C
C4 1.3322(2) 0.3496(9) 1.1778(4) 0.0656(10) Uani d . 1 . . C
C5 1.29817(17) 0.1853(8) 1.2537(3) 0.0558(9) Uani d . 1 . . C
C6 1.23284(18) 0.0183(8) 1.2119(3) 0.0589(9) Uani d . 1 . . C
C7 1.14446(17) -0.1646(7) 1.0697(3) 0.0515(9) Uani d . 1 . . C
C8 1.1390(2) -0.3547(9) 0.9741(3) 0.0620(10) Uani d . 1 . . C
C9 1.07583(19) -0.4965(9) 0.9364(3) 0.0590(9) Uani d . 1 . . C
C10 1.01474(16) -0.4492(6) 0.9883(3) 0.0449(8) Uani d . 1 . . C
C11 1.01964(19) -0.2567(7) 1.0809(3) 0.0493(8) Uani d . 1 . . C
C12 1.08326(19) -0.1167(8) 1.1219(3) 0.0506(8) Uani d . 1 . . C
C13 0.94456(19) -0.5996(8) 0.9437(3) 0.0502(9) Uani d . 1 . . C
C14 0.88863(15) -0.3967(6) 0.8794(3) 0.0409(8) Uani d . 1 . . C
C15 0.89570(18) -0.2901(7) 0.7680(3) 0.0473(8) Uani d . 1 . . C
C16 0.84642(17) -0.1021(7) 0.7103(3) 0.0448(8) Uani d . 1 . . C
C17 0.78862(16) -0.0037(6) 0.7618(3) 0.0383(7) Uani d . 1 . . C
C18 0.78076(18) -0.1103(7) 0.8731(3) 0.0445(8) Uani d . 1 . . C
C19 0.82977(16) -0.3062(7) 0.9295(3) 0.0417(8) Uani d . 1 . . C
C20 0.69408(18) 0.3254(7) 0.7398(3) 0.0459(8) Uani d . 1 . . C
C21 0.64497(16) 0.5350(7) 0.6741(3) 0.0440(8) Uani d . 1 . . C
C22 0.59340(19) 0.6733(8) 0.7285(4) 0.0635(10) Uani d . 1 . . C
C23 0.5481(2) 0.8671(9) 0.6633(4) 0.0695(12) Uani d . 1 . . C
C24 0.5556(2) 0.9178(9) 0.5486(4) 0.0665(12) Uani d . 1 . . C
C25 0.6488(2) 0.6058(8) 0.5587(3) 0.0608(10) Uani d . 1 . . C
H16 0.8509(15) -0.025(7) 0.634(3) 0.046(8) Uiso d . 1 . . H
H15 0.9368(17) -0.346(7) 0.738(3) 0.054(9) Uiso d . 1 . . H
H18 0.7402(13) -0.058(6) 0.910(2) 0.030(7) Uiso d . 1 . . H
H24 0.5257(15) 1.058(7) 0.507(3) 0.046(9) Uiso d . 1 . . H
H13B 0.9250(16) -0.695(7) 1.012(3) 0.059(9) Uiso d . 1 . . H
H25 0.686(2) 0.504(8) 0.509(3) 0.089(12) Uiso d . 1 . . H
H13A 0.9534(15) -0.754(7) 0.891(3) 0.047(9) Uiso d . 1 . . H
H11 0.9790(15) -0.233(6) 1.116(2) 0.033(8) Uiso d . 1 . . H
H9 1.0757(19) -0.618(8) 0.872(3) 0.079(12) Uiso d . 1 . . H
H2 1.464(2) 0.605(10) 1.368(4) 0.109(15) Uiso d . 1 . . H
H8 1.182(2) -0.369(8) 0.939(3) 0.079(12) Uiso d . 1 . . H
H23 0.514(2) 0.973(9) 0.703(4) 0.091(13) Uiso d . 1 . . H
H20 0.6855(19) 0.281(8) 0.825(4) 0.083(11) Uiso d . 1 . . H
H1 1.3054(18) 0.053(8) 1.429(3) 0.070(11) Uiso d . 1 . . H
H4 1.314(2) 0.339(8) 1.102(3) 0.079(13) Uiso d . 1 . . H
H12 1.0836(15) 0.016(6) 1.184(3) 0.042(8) Uiso d . 1 . . H
H19 0.8250(16) -0.393(6) 1.007(3) 0.059(9) Uiso d . 1 . . H
H6 1.207(2) -0.095(8) 1.273(3) 0.085(12) Uiso d . 1 . . H
H22 0.5898(18) 0.630(7) 0.813(3) 0.074(11) Uiso d . 1 . . H
H3 1.414(2) 0.625(8) 1.174(4) 0.082(14) Uiso d . 1 . . H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
N1 0.065(2) 0.123(3) 0.070(2) -0.004(2) -0.0091(19) -0.024(2)
N2 0.0473(16) 0.0663(18) 0.0593(19) -0.0064(15) -0.0009(14) -0.0007(15)
N3 0.0451(15) 0.0446(16) 0.0409(15) 0.0044(13) 0.0073(13) 0.0003(13)
N4 0.091(3) 0.085(2) 0.053(2) 0.035(2) -0.0018(19) 0.0046(18)
C1 0.061(3) 0.100(3) 0.060(2) 0.005(2) 0.007(2) -0.004(2)
C2 0.056(2) 0.092(3) 0.099(4) -0.012(3) 0.001(3) -0.026(3)
C3 0.057(2) 0.081(3) 0.087(3) -0.009(2) 0.008(2) -0.007(3)
C4 0.057(2) 0.077(3) 0.059(2) -0.005(2) -0.0021(19) -0.006(2)
C5 0.044(2) 0.067(2) 0.055(2) 0.0040(17) 0.0014(16) -0.0020(19)
C6 0.054(2) 0.060(2) 0.060(3) -0.0026(19) 0.0038(19) 0.0053(19)
C7 0.0447(19) 0.055(2) 0.052(2) 0.0002(18) -0.0016(16) 0.0051(18)
C8 0.048(2) 0.080(3) 0.058(2) -0.003(2) 0.0109(18) -0.007(2)
C9 0.060(2) 0.067(2) 0.049(2) 0.002(2) 0.0032(18) -0.0112(19)
C10 0.053(2) 0.0359(17) 0.0440(17) 0.0036(15) -0.0003(15) 0.0070(15)
C11 0.048(2) 0.049(2) 0.052(2) 0.0024(16) 0.0088(16) 0.0018(17)
C12 0.054(2) 0.048(2) 0.048(2) -0.0002(17) 0.0000(17) -0.0053(17)
C13 0.058(2) 0.0415(19) 0.048(2) -0.0005(17) -0.0035(17) 0.0029(17)
C14 0.0438(18) 0.0362(17) 0.0404(17) -0.0084(15) -0.0016(14) 0.0019(15)
C15 0.047(2) 0.048(2) 0.048(2) 0.0042(16) 0.0116(16) 0.0014(16)
C16 0.055(2) 0.0472(19) 0.0329(17) 0.0066(16) 0.0084(15) 0.0035(15)
C17 0.0441(17) 0.0348(15) 0.0353(16) -0.0039(14) 0.0033(14) -0.0006(14)
C18 0.0471(19) 0.0464(19) 0.0415(19) -0.0003(16) 0.0112(16) 0.0003(16)
C19 0.050(2) 0.0416(18) 0.0322(17) -0.0057(15) 0.0026(14) 0.0033(15)
C20 0.054(2) 0.0423(18) 0.0417(19) 0.0000(17) 0.0075(17) 0.0003(16)
C21 0.0411(17) 0.0433(18) 0.047(2) 0.0014(15) 0.0046(15) -0.0039(16)
C22 0.062(2) 0.066(2) 0.066(3) 0.011(2) 0.021(2) 0.010(2)
C23 0.054(2) 0.062(2) 0.094(3) 0.017(2) 0.019(2) 0.009(2)
C24 0.064(3) 0.055(2) 0.072(3) 0.009(2) -0.018(2) 0.002(2)
C25 0.076(3) 0.062(2) 0.043(2) 0.018(2) 0.0051(19) -0.0015(19)
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
N1 C2 . 1.339(6) ?
N1 C1 . 1.351(5) ?
N2 C6 . 1.259(4) ?
N2 C7 . 1.415(4) ?
N3 C20 . 1.256(3) ?
N3 C17 . 1.421(4) ?
N4 C24 . 1.325(5) ?
N4 C25 . 1.340(5) ?
C1 C5 . 1.373(5) ?
C1 H1 . 1.02(4) ?
C2 C3 . 1.362(6) ?
C2 H2 . 1.03(5) ?
C3 C4 . 1.361(5) ?
C3 H3 . 0.92(4) ?
C4 C5 . 1.377(5) ?
C4 H4 . 0.88(4) ?
C5 C6 . 1.469(4) ?
C6 H6 . 1.05(4) ?
C7 C12 . 1.385(5) ?
C7 C8 . 1.393(5) ?
C8 C9 . 1.369(5) ?
C8 H8 . 0.96(4) ?
C9 C10 . 1.381(4) ?
C9 H9 . 0.93(4) ?
C10 C11 . 1.375(5) ?
C10 C13 . 1.511(5) ?
C11 C12 . 1.379(5) ?
C11 H11 . 0.92(3) ?
C12 H12 . 0.93(3) ?
C13 C14 . 1.516(4) ?
C13 H13B . 1.01(4) ?
C13 H13A . 0.97(3) ?
C14 C19 . 1.380(4) ?
C14 C15 . 1.386(4) ?
C15 C16 . 1.367(5) ?
C15 H15 . 0.93(3) ?
C16 C17 . 1.383(4) ?
C16 H16 . 0.96(3) ?
C17 C18 . 1.388(4) ?
C18 C19 . 1.382(4) ?
C18 H18 . 0.95(3) ?
C19 H19 . 0.98(3) ?
C20 C21 . 1.467(4) ?
C20 H20 . 1.03(4) ?
C21 C25 . 1.367(5) ?
C21 C22 . 1.381(5) ?
C22 C23 . 1.377(5) ?
C22 H22 . 1.00(4) ?
C23 C24 . 1.355(6) ?
C23 H23 . 0.98(4) ?
C24 H24 . 0.94(3) ?
C25 H25 . 1.07(4) ?