data_2011723
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2001
_journal_volume  57
_journal_page_first  45
_journal_page_last  46
_publ_section_title
;
Bis(2-benzyl-1H-benzimidazole-N^3^)dichorozinc(II)
;
loop_
_publ_author_name
  'Bei, Fengli'
  'Jian, Fangfang'
  'Yang, Xujie'
  'Lu, Lude'
  'Wang, Xin'
  'Razak, Ibrahim Abdul'
  'Shanmuga Sundara Raj, S.'
  'Fun, Hoong-Kun'
_chemical_formula_sum  'C28 H24 Cl2 N4 Zn'
_chemical_formula_iupac  '[Zn Cl2 (C14 H12 N2)2]'
_chemical_formula_weight  552.78
_symmetry_cell_setting  Monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
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  11.8623(2)
_cell_length_b  16.36740(10)
_cell_length_c  14.1767(2)
_cell_angle_alpha  90.00
_cell_angle_beta  111.9430(10)
_cell_angle_gamma  90.00
_cell_volume  2553.08(6)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.438
_diffrn_ambient_temperature  293(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
  Zn1  .17445(3)  .22953(2)  .46297(2)  .03183(12) Uani d . 1 . . Zn
  Cl1  .10770(7)  .15171(5)  .56294(6)  .0449(2) Uani d . 1 . . Cl
  Cl2  .24012(7)  .14669(5)  .36634(6)  .0447(2) Uani d . 1 . . Cl
  N1  .3046(2)  .30088(14)  .56451(17)  .0327(5) Uani d . 1 . . N
  N2  .4786(2)  .34242(15)  .68028(17)  .0376(6) Uani d . 1 . . N
  H2A  .5555  .3494  .7112  .045 Uiso calc R 1 . . H
  N3  .0493(2)  .30382(14)  .36063(16)  .0307(5) Uani d . 1 . . N
  N4  -.1210(2)  .35521(15)  .24906(18)  .0392(6) Uani d . 1 . . N
  H4A  -.1972  .3657  .2191  .047 Uiso calc R 1 . . H
  C1  .2795(3)  .34761(17)  .6377(2)  .0335(6) Uani d . 1 . . C
  C2  .1691(3)  .36735(19)  .6455(2)  .0450(8) Uani d . 1 . . C
  H2B  .0953  .3501  .5975  .054 Uiso calc R 1 . . H
  C3  .1756(3)  .4145(2)  .7298(3)  .0524(9) Uani d . 1 . . C
  H3A  .1039  .4292  .7376  .063 Uiso calc R 1 . . H
  C4  .2858(3)  .4402(2)  .8022(3)  .0511(9) Uani d . 1 . . C
  H4B  .2857  .4716  .8568  .061 Uiso calc R 1 . . H
  C5  .3954(3)  .42005(19)  .7948(2)  .0449(8) Uani d . 1 . . C
  H5A  .4692  .4369  .8433  .054 Uiso calc R 1 . . H
  C6  .3897(3)  .37346(17)  .7114(2)  .0352(7) Uani d . 1 . . C
  C7  .4253(3)  .29962(18)  .5939(2)  .0348(7) Uani d . 1 . . C
  C8  .4942(3)  .25770(19)  .5405(2)  .0404(7) Uani d . 1 . . C
  H8A  .4556  .2055  .5159  .049 Uiso calc R 1 . . H
  H8B  .5754  .2466  .5891  .049 Uiso calc R 1 . . H
  C9  .5048(3)  .30437(19)  .4510(2)  .0349(6) Uani d . 1 . . C
  C10  .5147(3)  .2618(2)  .3712(2)  .0432(7) Uani d . 1 . . C
  H10A  .5118  .2050  .3716  .052 Uiso calc R 1 . . H
  C11  .5289(3)  .3016(2)  .2899(2)  .0514(9) Uani d . 1 . . C
  H11A  .5363  .2716  .2368  .062 Uiso calc R 1 . . H
  C12  .5320(4)  .3845(2)  .2882(3)  .0602(10) Uani d . 1 . . C
  H12A  .5414  .4116  .2340  .072 Uiso calc R 1 . . H
  C13  .5211(4)  .4281(2)  .3672(3)  .0726(13) Uani d . 1 . . C
  H13A  .5230  .4849  .3661  .087 Uiso calc R 1 . . H
  C14  .5072(4)  .3878(2)  .4487(3)  .0564(10) Uani d . 1 . . C
  H14A  .4996  .4178  .5017  .068 Uiso calc R 1 . . H
  C15  .0777(3)  .34993(16)  .28891(19)  .0322(6) Uani d . 1 . . C
  C16  .1892(3)  .36436(19)  .2800(2)  .0423(7) Uani d . 1 . . C
  H16A  .2612  .3420  .3253  .051 Uiso calc R 1 . . H
  C17  .1868(3)  .4140(2)  .2000(3)  .0515(9) Uani d . 1 . . C
  H17A  .2593  .4249  .1914  .062 Uiso calc R 1 . . H
  C18  .0803(3)  .4479(2)  .1324(2)  .0515(9) Uani d . 1 . . C
  H18A  .0839  .4817  .0808  .062 Uiso calc R 1 . . H
  C19  -.0311(3)  .4331(2)  .1391(2)  .0481(8) Uani d . 1 . . C
  H19A  -.1027  .4554  .0932  .058 Uiso calc R 1 . . H
  C20  -.0301(3)  .38274(17)  .2191(2)  .0355(7) Uani d . 1 . . C
  C21  -.0705(3)  .30873(18)  .3338(2)  .0335(6) Uani d . 1 . . C
  C22  -.1438(3)  .27260(19)  .3884(2)  .0392(7) Uani d . 1 . . C
  H22A  -.1074  .2210  .4180  .047 Uiso calc R 1 . . H
  H22B  -.2247  .2611  .3394  .047 Uiso calc R 1 . . H
  C23  -.1545(3)  .32648(19)  .4719(2)  .0375(7) Uani d . 1 . . C
  C24  -.1701(3)  .2907(2)  .5537(2)  .0487(8) Uani d . 1 . . C
  H24A  -.1726  .2341  .5576  .058 Uiso calc R 1 . . H
  C25  -.1823(3)  .3379(3)  .6309(3)  .0624(11) Uani d . 1 . . C
  H25A  -.1921  .3127  .6861  .075 Uiso calc R 1 . . H
  C26  -.1800(4)  .4212(3)  .6260(3)  .0717(12) Uani d . 1 . . C
  H26A  -.1896  .4529  .6769  .086 Uiso calc R 1 . . H
  C27  -.1635(4)  .4574(3)  .5455(3)  .0737(13) Uani d . 1 . . C
  H27A  -.1610  .5141  .5422  .088 Uiso calc R 1 . . H
  C28  -.1502(4)  .4108(2)  .4681(3)  .0562(10) Uani d . 1 . . C
  H28A  -.1385  .4364  .4139  .067 Uiso calc R 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
  Zn1  .0340(2)  .0373(2)  .02325(16)  .00336(15)  .00968(13)  .00198(14)
  Cl1  .0455(5)  .0548(5)  .0348(4)  -.0050(4)  .0156(3)  .0096(3)
  Cl2  .0441(4)  .0534(5)  .0370(4)  .0117(4)  .0156(3)  -.0055(3)
  N1  .0333(13)  .0368(13)  .0274(11)  -.0001(11)  .0107(10)  .0030(10)
  N2  .0328(14)  .0442(15)  .0308(12)  -.0071(11)  .0059(11)  .0059(11)
  N3  .0322(13)  .0327(12)  .0274(11)  .0038(10)  .0115(10)  -.0028(10)
  N4  .0353(14)  .0460(15)  .0315(12)  .0111(12)  .0070(11)  -.0011(11)
  C1  .0393(17)  .0318(16)  .0283(14)  .0004(13)  .0113(13)  .0050(12)
  C2  .0446(19)  .0457(19)  .0443(18)  .0033(15)  .0161(16)  -.0013(15)
  C3  .060(2)  .047(2)  .057(2)  .0065(17)  .0307(19)  -.0037(17)
  C4  .070(3)  .0408(19)  .0428(18)  -.0004(18)  .0219(18)  -.0054(15)
  C5  .057(2)  .0387(18)  .0338(16)  -.0094(16)  .0108(15)  .0011(14)
  C6  .0451(17)  .0320(15)  .0300(14)  -.0048(13)  .0158(13)  .0049(12)
  C7  .0386(17)  .0348(16)  .0295(14)  -.0009(13)  .0108(13)  .0105(12)
  C8  .0391(17)  .0455(18)  .0379(16)  .0067(14)  .0157(14)  .0094(14)
  C9  .0315(15)  .0423(17)  .0338(14)  -.0009(13)  .0158(13)  .0042(13)
  C10  .0422(18)  .0447(18)  .0461(18)  -.0009(15)  .0204(15)  -.0015(15)
  C11  .050(2)  .071(2)  .0388(17)  -.0070(18)  .0226(16)  -.0099(17)
  C12  .082(3)  .063(2)  .048(2)  -.008(2)  .039(2)  .0066(19)
  C13  .128(4)  .042(2)  .074(3)  -.011(2)  .068(3)  .0020(19)
  C14  .090(3)  .045(2)  .051(2)  -.007(2)  .046(2)  -.0031(17)
  C15  .0393(17)  .0311(15)  .0244(13)  .0025(12)  .0098(12)  -.0021(11)
  C16  .0424(18)  .0462(19)  .0371(16)  -.0024(15)  .0136(15)  .0003(14)
  C17  .060(2)  .053(2)  .0476(19)  -.0079(18)  .0261(18)  .0019(16)
  C18  .069(2)  .048(2)  .0374(17)  -.0019(18)  .0191(17)  .0089(15)
  C19  .065(2)  .0432(19)  .0290(15)  .0116(17)  .0093(15)  .0058(14)
  C20  .0425(17)  .0351(16)  .0263(13)  .0058(14)  .0098(13)  -.0048(12)
  C21  .0366(16)  .0332(15)  .0263(13)  .0073(13)  .0068(12)  -.0050(12)
  C22  .0346(16)  .0424(18)  .0412(16)  .0015(14)  .0150(14)  -.0043(14)
  C23  .0336(16)  .0444(18)  .0359(15)  .0056(14)  .0145(13)  -.0059(14)
  C24  .047(2)  .057(2)  .0433(18)  .0043(16)  .0190(16)  .0018(15)
  C25  .057(2)  .098(3)  .0372(18)  .013(2)  .0228(17)  .001(2)
  C26  .077(3)  .094(3)  .045(2)  .017(3)  .023(2)  -.023(2)
  C27  .101(4)  .055(2)  .068(3)  .010(2)  .034(3)  -.018(2)
  C28  .079(3)  .049(2)  .0465(19)  .0044(19)  .030(2)  -.0064(17)
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
  Zn1 N1 . 2.039(2) yes
  Zn1 N3 . 2.044(2) yes
  Zn1 Cl1 . 2.2575(8) yes
  Zn1 Cl2 . 2.2626(8) yes
  N1 C7 . 1.334(4) ?
  N1 C1 . 1.407(4) ?
  N2 C7 . 1.346(4) ?
  N2 C6 . 1.383(4) ?
  N3 C21 . 1.329(4) ?
  N3 C15 . 1.405(3) ?
  N4 C21 . 1.358(4) ?
  N4 C20 . 1.375(4) ?
  C1 C2 . 1.393(4) ?
  C1 C6 . 1.400(4) ?
  C2 C3 . 1.400(4) ?
  C3 C4 . 1.391(5) ?
  C4 C5 . 1.382(5) ?
  C5 C6 . 1.387(4) ?
  C7 C8 . 1.474(4) ?
  C8 C9 . 1.527(4) ?
  C9 C14 . 1.367(4) ?
  C9 C10 . 1.370(4) ?
  C10 C11 . 1.389(5) ?
  C11 C12 . 1.358(5) ?
  C12 C13 . 1.373(5) ?
  C13 C14 . 1.393(5) ?
  C15 C16 . 1.395(4) ?
  C15 C20 . 1.399(4) ?
  C16 C17 . 1.388(4) ?
  C17 C18 . 1.384(5) ?
  C18 C19 . 1.382(5) ?
  C19 C20 . 1.398(4) ?
  C21 C22 . 1.485(4) ?
  C22 C23 . 1.519(4) ?
  C23 C24 . 1.373(4) ?
  C23 C28 . 1.383(4) ?
  C24 C25 . 1.390(5) ?
  C25 C26 . 1.366(6) ?
  C26 C27 . 1.363(5) ?
  C27 C28 . 1.392(5) ?