#------------------------------------------------------------------------------
#$Date: 2009-11-14 13:09:05 +0000 (Sat, 14 Nov 2009) $
#$Revision: 846 $
#$URL: svn://www.crystallography.net/cod/cif/2/2004771.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_2004771
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year      1996
_journal_page_first     1014
_journal_page_last     1017
_publ_section_title
;
Two Schiff Base Ligands Derived from 1,2-Diaminocyclohexane
;
_chemical_formula_moiety     'C20 H22 N2 O2'
_chemical_formula_sum     'C20 H22 N2 O2'
_chemical_formula_weight     322.40
_symmetry_cell_setting    'monoclinic'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'
_symmetry_space_group_name_H-M     'C c'
_cell_length_a     16.013(6)
_cell_length_b     11.860(6)
_cell_length_c     9.643(2)
_cell_angle_alpha     90.00
_cell_angle_beta     98.50(2)
_cell_angle_gamma     90.00
_cell_volume     1811.2(12)
_cell_formula_units_Z     4
_exptl_crystal_density_diffrn     1.182
_cell_measurement_temperature     293(2)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
O1 1 1.0259(2)  .2372(2) -0.1151(2)  .0865(7)
H1 1  .9602(2)  .2147(2) -0.1231(2)  .104
O2 1  .8539(2)  .1559(2)  .3976(2)  .0845(7)
H2A 1  .8404(2)  .1576(2)  .2814(2)  .101
N1 1  .89210(15)  .1387(2)  -.0487(2)  .0556(6)
N2 1  .7976(2)  .2349(2)  .1494(2)  .0540(6)
C1 1 1.0726(2)  .1683(2)  -.0234(3)  .0580(7)
C2 1 1.1599(2)  .1739(3)  -.0062(3)  .0736(9)
H2 1 1.1864(2)  .2242(3)  -.0593(3)  .088
C3 1 1.2079(2)  .1053(3)  .0885(4)  .0784(9)
H3 1 1.2665(2)  .1089(3)  .0985(4)  .094
C4 1 1.1704(2)  .0303(3)  .1688(4)  .0811(10)
H4 1 1.2034(2)  -.0146(3)  .2344(4)  .097
C5 1 1.0836(2)  .0227(3)  .1522(3)  .0709(8)
H5 1 1.0584(2)  -.0278(3)  .2070(3)  .085
C6 1 1.0326(2)  .0899(2)  .0559(3)  .0546(7)
C7 1  .9416(2)  .0787(2)  .0372(3)  .0539(6)
H7 1  .9199(2)  .0148(2)  .1007(3)  .065
C8 1  .8011(2)  .1204(2)  -.0594(3)  .0542(7)
H8 1  .7913(2)  .0528(2)  -.0056(3)  .065
C9 1  .7620(2)  .1021(3) -0.2118(3)  .0676(8)
H9A 1  .7877(2)  .0368(3) -0.2490(3)  .081
H9B 1  .7735(2)  .1674(3) -0.2667(3)  .081
C10 1  .6676(2)  .0849(3) -0.2245(4)  .0795(9)
H10A 1  .6439(2)  .0773(3) -0.3226(4)  .095
H10B 1  .6566(2)  .0155(3) -0.1772(4)  .095
C11 1  .6249(2)  .1821(3) -0.1601(3)  .0750(9)
H11A 1  .5656(2)  .1647(3) -0.1620(3)  .090
H11B 1  .6289(2)  .2495(3) -0.2156(3)  .090
C12 1  .6650(2)  .2028(3)  -.0086(3)  .0700(8)
H12A 1  .6396(2)  .2692(3)  .0266(3)  .084
H12B 1  .6540(2)  .1393(3)  .0494(3)  .084
C13 1  .7596(2)  .2206(2)  .0021(3)  .0529(7)
H13 1  .7701(2)  .2887(2)  -.0503(3)  .064
C14 1  .8311(2)  .3288(2)  .1894(3)  .0498(6)
H14 1  .8401(2)  .3985(2)  .1201(3)  .060
C15 1  .8746(2)  .3473(2)  .3306(3)  .0506(7)
C16 1  .9080(2)  .4527(2)  .3702(3)  .0587(7)
H16 1  .8978(2)  .5130(2)  .3083(3)  .070
C17 1  .9563(2)  .4695(3)  .5003(3)  .0673(8)
H17 1  .9789(2)  .5401(3)  .5253(3)  .081
C18 1  .9702(2)  .3800(3)  .5923(3)  .0685(9)
H18 1 1.0038(2)  .3897(3)  .6787(3)  .082
C19 1  .9359(2)  .2760(3)  .5576(3)  .0681(9)
H19 1  .9447(2)  .2167(3)  .6212(3)  .082
C20 1  .8874(2)  .2588(2)  .4284(3)  .0574(7)