data_2008427
_journal_name_full  'Acta Crystallographica'
_journal_year  1999
_journal_volume  C55
_journal_page_first  508
_journal_page_last  510
_publ_section_title
;
Zinc(II) complexes of bidentate Schiff base ligands containing
methoxyphenyl and nitrophenyl groups
;
loop_
_publ_author_name
  'Tatar, Leyla'
  '\"Ulk\"u, Din\,cer'
  'Atakol, Orhan'
_chemical_formula_moiety  'C26 H18 N4 O6 Zn'
_chemical_formula_sum  'C26 H18 N4 O6 Zn'
_chemical_formula_iupac  '[Zn (C13 H9 N2 O3)2]'
_chemical_formula_weight  547.827
_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  8.5966(7)
_cell_length_b  11.4966(14)
_cell_length_c  12.4867(11)
_cell_angle_alpha  70.432(8)
_cell_angle_beta  77.619(7)
_cell_angle_gamma  85.302(9)
_cell_volume  1135.7(2)
_cell_formula_units_Z  2
_cell_measurement_temperature  295
_exptl_crystal_density_diffrn  1.6024
_refine_ls_R_factor_obs  0.0412
_refine_ls_wR_factor_obs  0.0517
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_calc_attached_atom
_atom_site_type_symbol
  Zn 0.66679(4) 0.07250(4) 0.25089(3) 0.03870(10)
  Ueq . . Zn
  O1 0.8260(3) -0.0532(2) 0.2682(2) 0.0473(6) Ueq . . O
  O2 0.4551(3) 0.0431(2) 0.2436(2) 0.0443(6) Ueq . . O
  O3 0.3093(4) 0.5748(3) 0.2838(3) 0.0769(10) Ueq . . O
  O4 0.3773(4) 0.4591(3) 0.1781(2) 0.0767(10) Ueq . . O
  O5 1.2838(4) 0.4746(4) -0.2318(4) 0.1122(14) Ueq . . O
  O6 1.0693(4) 0.4536(3) -0.2819(3) 0.0846(12) Ueq . . O
  N1 0.6626(3) 0.1006(2) 0.4032(2) 0.0313(6) Ueq . . N
  N2 0.7165(3) 0.2007(2) 0.0911(2) 0.0313(6) Ueq . . N
  N3 0.3631(4) 0.4791(3) 0.2689(3) 0.0530(10) Ueq . . N
  N4 1.1472(4) 0.4418(3) -0.2088(3) 0.0620(12) Ueq . . N
  C1 0.8762(4) -0.1122(3) 0.3636(3) 0.0362(6) Ueq . . C
  C2 0.9798(4) -0.2144(3) 0.3654(3) 0.0465(12) Ueq . . C
  C3 1.0357(4) -0.2817(3) 0.4624(3) 0.0493(12) Ueq . . C
  C4 0.9935(4) -0.2512(3) 0.5633(3) 0.0497(12) Ueq . . C
  C5 0.8964(4) -0.1520(3) 0.5642(3) 0.0440(10) Ueq . . C
  C6 0.8345(4) -0.0795(3) 0.4663(3) 0.0332(6) Ueq . . C
  C7 0.7361(4) 0.0234(3) 0.4784(3) 0.0350(6) Ueq . . C
  C8 0.5697(3) 0.1989(3) 0.4319(3) 0.0321(6) Ueq . . C
  C9 0.5089(4) 0.2868(3) 0.3431(3) 0.0375(6) Ueq . . C
  C10 0.4187(4) 0.3833(3) 0.3669(3) 0.0386(6) Ueq . . C
  C11 0.3829(4) 0.3968(3) 0.4739(3) 0.0452(12) Ueq . . C
  C12 0.4417(5) 0.3087(3) 0.5617(3) 0.0491(10) Ueq . . C
  C13 0.5348(4) 0.2119(3) 0.5415(3) 0.0429(10) Ueq . . C
  C14 0.4004(4) 0.0699(3) 0.1481(3) 0.0346(6) Ueq . . C
  C15 0.2559(4) 0.0176(3) 0.1528(3) 0.0467(10) Ueq . . C
  C16 0.1930(4) 0.0391(3) 0.0562(3) 0.0527(10) Ueq . . C
  C17 0.2698(4) 0.1128(3) -0.0505(3) 0.0512(10) Ueq . . C
  C18 0.4087(4) 0.1683(3) -0.0588(3) 0.0456(10) Ueq . . C
  C19 0.4778(3) 0.1492(3) 0.0390(2) 0.0329(6) Ueq . . C
  C20 0.6241(4) 0.2111(3) 0.0191(3) 0.0359(6) Ueq . . C
  C21 0.8617(4) 0.2672(3) 0.0540(3) 0.0338(6) Ueq . . C
  C22 0.9419(4) 0.2694(3) 0.1390(3) 0.0429(10) Ueq . . C
  C23 1.0850(4) 0.3283(3) 0.1111(3) 0.0496(12) Ueq . . C
  C24 1.1538(4) 0.3861(3) -0.0023(3) 0.0496(12) Ueq . . C
  C25 1.0743(4) 0.3837(3) -0.0861(3) 0.0428(10) Ueq . . C
  C26 0.9301(4) 0.3265(3) -0.0613(3) 0.0380(8) Ueq . . C
  H2 1.011 -0.237 0.297 0.0608 Uiso . . H
  H3 1.104 -0.350 0.461 0.0646 Uiso . . H
  H4 1.032 -0.299 0.631 0.0646 Uiso . . H
  H5 0.869 -0.131 0.633 0.0570 Uiso . . H
  H7 0.728 0.031 0.543 0.0456 Uiso . . H
  H9 0.529 0.281 0.267 0.0481 Uiso . . H
  H11 0.320 0.464 0.487 0.0583 Uiso . . H
  H12 0.418 0.315 0.638 0.0646 Uiso . . H
  H13 0.576 0.153 0.603 0.0557 Uiso . . H
  H15 0.200 -0.034 0.225 0.0608 Uiso . . H
  H16 0.094 0.003 0.063 0.0684 Uiso . . H
  H17 0.227 0.125 -0.118 0.0659 Uiso . . H
  H18 0.460 0.221 -0.132 0.0595 Uiso . . H
  H20 0.648 0.264 -0.051 0.0469 Uiso . . H
  H22 0.897 0.229 0.218 0.0557 Uiso . . H
  H23 1.137 0.329 0.171 0.0646 Uiso . . H
  H24 1.253 0.426 -0.022 0.0646 Uiso . . H
  H26 0.878 0.328 -0.122 0.0494 Uiso . . 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
_atom_site_aniso_type_symbol
  Zn 0.0383(2) 0.0473(2) 0.02960(10)
  -0.0009(2) -0.01260(10)
  -0.00750(10)
  Zn
  O1 0.0540(10)
  0.0550(10)
  0.0341(9) 0.0140(10)
  -0.0170(9) -0.0143(9) O
  O2 0.0370(10)
  0.0620(10)
  0.0314(9) -0.0090(10)
  -0.0110(8) -0.0076(9) O
  O3 0.093(2) 0.0570(10)
  0.076(2) 0.0350(10)
  -0.0310(10)
  -0.0150(10)
  O
  O4 0.107(2) 0.070(2) 0.0630(10)
  0.028(2) -0.0500(10)
  -0.0210(10)
  O
  O5 0.074(2) 0.144(3) 0.091(2) -0.057(2) 0.031(2) -0.019(2) O
  O6 0.099(2) 0.091(2) 0.046(2) -0.033(2) 0.010(2) -0.0070(10)
  O
  N1 0.0300(10)
  0.0340(10)
  0.0280(10)
  -0.0010(10)
  -0.0060(9) -0.0075(8) N
  N2 0.0300(10)
  0.0350(10)
  0.0270(10)
  0.0000(10)
  -0.0052(9) -0.0079(8) N
  N3 0.0480(10)
  0.051(2) 0.057(2) 0.0080(10)
  -0.0230(10)
  -0.0080(10)
  N
  N4 0.062(2) 0.050(2) 0.060(2) -0.014(2) 0.016(2) -0.0140(10)
  N
  C1 0.0310(10)
  0.0410(10)
  0.0360(10)
  -0.0020(10)
  -0.0090(10)
  -0.0100(10)
  C
  C2 0.045(2) 0.049(2) 0.048(2) 0.0060(10)
  -0.0100(10)
  -0.0200(10)
  C
  C3 0.042(2) 0.044(2) 0.062(2) 0.0120(10)
  -0.0170(10)
  -0.0160(10)
  C
  C4 0.050(2) 0.049(2) 0.049(2) 0.010(2) -0.0260(10)
  -0.0070(10)
  C
  C5 0.048(2) 0.050(2) 0.0350(10)
  0.0050(10)
  -0.0170(10)
  -0.0110(10)
  C
  C6 0.0290(10)
  0.0350(10)
  0.0330(10)
  -0.0010(10)
  -0.0090(10)
  -0.0060(10)
  C
  C7 0.0350(10)
  0.0420(10)
  0.0270(10)
  -0.0030(10)
  -0.0070(10)
  -0.0090(10)
  C
  C8 0.0280(10)
  0.0330(10)
  0.0330(10)
  -0.0060(10)
  -0.0050(10)
  -0.0070(10)
  C
  C9 0.0340(10)
  0.0400(10)
  0.0370(10)
  -0.0030(10)
  -0.0090(10)
  -0.0090(10)
  C
  C10 0.0320(10)
  0.0360(10)
  0.0430(10)
  -0.0030(10)
  -0.0110(10)
  -0.0040(10)
  C
  C11 0.039(2) 0.040(2) 0.053(2) 0.0040(10)
  -0.0050(10)
  -0.0140(10)
  C
  C12 0.058(2) 0.049(2) 0.0380(10)
  0.004(2) -0.002(2) -0.0170(10)
  C
  C13 0.048(2) 0.042(2) 0.0340(10)
  0.0030(10)
  -0.0080(10)
  -0.0070(10)
  C
  C14 0.0280(10)
  0.0440(10)
  0.0370(10)
  0.0050(10)
  -0.0100(10)
  -0.0190(10)
  C
  C15 0.0320(10)
  0.058(2) 0.054(2) -0.0010(10)
  -0.0090(10)
  -0.0230(10)
  C
  C16 0.0330(10)
  0.067(2) 0.077(2) 0.0090(10)
  -0.0240(10)
  -0.0420(10)
  C
  C17 0.049(2) 0.066(2) 0.0610(10)
  0.0260(10)
  -0.0370(10)
  -0.0400(10)
  C
  C18 0.046(2) 0.056(2) 0.0390(10)
  0.0180(10)
  -0.0200(10)
  -0.0180(10)
  C
  C19 0.0280(10)
  0.0390(10)
  0.0350(10)
  0.0090(10)
  -0.0120(10)
  -0.0150(10)
  C
  C20 0.0360(10)
  0.0400(10)
  0.0270(10)
  0.0070(10)
  -0.0070(10)
  -0.0060(10)
  C
  C21 0.0320(10)
  0.0320(10)
  0.0350(10)
  0.0020(10)
  -0.0040(10)
  -0.0100(10)
  C
  C22 0.041(2) 0.047(2) 0.0400(10)
  -0.0030(10)
  -0.0110(10)
  -0.0110(10)
  C
  C23 0.042(2) 0.052(2) 0.060(2) -0.0020(10)
  -0.0180(10)
  -0.0200(10)
  C
  C24 0.032(2) 0.041(2) 0.076(2) -0.0020(10)
  -0.004(2) -0.0230(10)
  C
  C25 0.037(2) 0.0330(10)
  0.049(2) 0.0010(10)
  0.0070(10)
  -0.0110(10)
  C
  C26 0.036(2) 0.0350(10)
  0.0390(10)
  0.0010(10)
  -0.0030(10)
  -0.0100(10)
  C
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Zn O1 . . 1.898(2) yes
  Zn O2 . . 1.901(2) yes
  Zn N1 . . 2.027(3) yes
  Zn N2 . . 2.027(2) yes
  O1 C1 . . 1.303(4) yes
  O2 C14 . . 1.308(4) yes
  O3 N3 . . 1.217(5) yes
  O4 N3 . . 1.211(5) yes
  O5 N4 . . 1.206(5) yes
  O6 N4 . . 1.209(6) yes
  N1 C7 . . 1.294(4) yes
  N1 C8 . . 1.431(4) yes
  N2 C20 . . 1.292(4) yes
  N2 C21 . . 1.423(4) yes
  N3 C10 . . 1.484(4) yes
  N4 C25 . . 1.470(4) yes
  C1 C2 . . 1.412(5) no
  C1 C6 . . 1.422(5) no
  C2 C3 . . 1.363(5) no
  C2 H2 . . 0.95 no
  C3 H3 . . 0.95 no
  C4 C5 . . 1.358(5) no
  C4 H4 . . 0.95 no
  C5 C6 . . 1.413(4) no
  C5 H5 . . 0.95 no
  C6 C7 . . 1.428(4) yes
  C7 H7 . . 0.835 no
  C8 C9 . . 1.392(4) no
  C8 C13 . . 1.393(5) no
  C9 C10 . . 1.380(5) no
  C9 H9 . . 0.95 no
  C10 C11 . . 1.364(5) no
  C11 C12 . . 1.377(5) no
  C11 H11 . . 0.95 no
  C12 C13 . . 1.379(5) no
  C12 H12 . . 0.95 no
  C13 H13 . . 0.95 no
  C14 C15 . . 1.403(5) no
  C14 C19 . . 1.418(3) no
  C15 C16 . . 1.366(6) no
  C15 H15 . . 0.95 no
  C16 C17 . . 1.374(4) no
  C16 H16 . . 0.95 no
  C17 C18 . . 1.366(5) no
  C17 H17 . . 0.95 no
  C18 C19 . . 1.416(5) no
  C18 H18 . . 0.95 no
  C19 C20 . . 1.427(4) yes
  C20 H20 . . 0.87 no
  C21 C22 . . 1.390(5) no
  C21 C26 . . 1.390(4) no
  C22 C23 . . 1.372(5) no
  C22 H22 . . 0.95 no
  C23 C24 . . 1.369(5) no
  C23 H23 . . 0.95 no
  C24 C25 . . 1.376(6) no
  C24 H24 . . 0.95 no
  C25 C26 . . 1.376(5) no
  C26 H26 . . 0.95 no