#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2004772.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_2004772
_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     'C22 H26 N2 O2'
_chemical_formula_sum     'C22 H26 N2 O2'
_chemical_formula_weight     350.45
_symmetry_cell_setting    'monoclinic'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/c'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
_cell_length_a     11.832(9)
_cell_length_b     13.797(5)
_cell_length_c     12.954(7)
_cell_angle_alpha     90.00
_cell_angle_beta     112.51(4)
_cell_angle_gamma     90.00
_cell_volume     1954(2)
_cell_formula_units_Z     4
_exptl_crystal_density_diffrn     1.192
_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  .0234(2)  .1323(2)  .0819(2)  .0892(7)
H1 1  -.020(2)    .1255(10)  .0156(4)  .134
O2 1 -0.4654(2)  .23501(15) -0.1220(2)  .0873(7)
H2 1 -0.4123(17)  .2129(15) -0.1415(13)  .131
N1 1  -.0929(2)  .1855(2) -0.1170(2)  .0626(6)
N2 1 -0.3216(2)  .1064(2) -0.1349(2)  .0649(7)
C1 1  .0817(3)  .2181(2)  .0971(3)  .0676(8)
C2 1  .1739(3)  .2354(3)  .2011(3)  .0827(10)
H2O 1  .1920(3)  .1889(3)  .2571(3)  .099
C3 1  .2380(3)  .3206(3)  .2212(3)  .0954(11)
H3 1  .3001(3)  .3314(3)  .2906(3)  .115
C4 1  .2107(3)  .3905(3)  .1390(3)  .0971(11)
H4 1  .2542(3)  .4484(3)  .1527(3)  .117
C5 1  .1189(3)  .3736(2)  .0370(3)  .0851(10)
H5 1  .1006(3)  .4216(2)  -.0174(3)  .102
C6 1  .0519(3)  .2878(2)  .0115(3)  .0615(7)
C7 1  -.0442(3)  .2702(2)  -.0994(2)  .0608(8)
C8 1  -.0800(3)  .3517(2) -0.1841(2)  .0866(10)
H8A 1  -.0176(8)  .3601(9) -0.2136(11)  .130
H8B 1  -.0891(16)  .4106(3) -0.1486(4)  .130
H8C 1 -0.1561(8)  .3361(6) -0.2438(7)  .130
C9 1 -0.1871(2)  .1569(2) -0.2258(2)  .0615(8)
H9 1 -0.2427(2)  .2116(2) -0.2564(2)  .074
C10 1 -0.1288(3)  .1291(2) -0.3080(2)  .0754(9)
H10A 1  -.0841(3)  .1841(2) -0.3198(2)  .091
H10B 1  -.0711(3)  .0766(2) -0.2769(2)  .091
C11 1 -0.2254(3)  .0974(2) -0.4190(2)  .0792(9)
H11A 1 -0.2795(3)  .1514(2) -0.4526(2)  .095
H11B 1 -0.1861(3)  .0785(2) -0.4693(2)  .095
C12 1 -0.2993(3)  .0135(2) -0.4037(2)  .0885(10)
H12A 1 -0.2471(3)  -.0431(2) -0.3792(2)  .106
H12B 1 -0.3643(3)  -.0019(2) -0.4747(2)  .106
C13 1 -0.3548(3)  .0377(2) -0.3175(2)  .0782(9)
H13A 1 -0.4165(3)  .0876(2) -0.3476(2)  .094
H13B 1 -0.3947(3)  -.0196(2) -0.3040(2)  .094
C14 1 -0.2588(2)  .0727(2) -0.2072(2)  .0632(8)
H14 1 -0.2031(2)  .0194(2) -0.1706(2)  .076
C15 1 -0.3111(2)  .0674(2)  -.0414(3)  .0618(8)
C16 1 -0.2319(3)  -.0184(2)  .0096(3)  .0910(10)
H16A 1 -0.2813(4)  -.0697(5)  .0200(14)  .136
H16B 1 -0.1706(10)  -.0004(4)  .0805(7)  .136
H16C 1 -0.1930(13)  -.0401(8)  -.0391(8)  .136
C17 1 -0.3833(3)  .1107(2)  .0170(2)  .0616(8)
C18 1 -0.3814(3)  .0734(2)  .1181(3)  .0791(9)
H18 1 -0.3329(3)  .0197(2)  .1495(3)  .095
C19 1 -0.4496(3)  .1143(3)  .1723(3)  .0923(11)
H19 1 -0.4466(3)  .0883(3)  .2395(3)  .111
C20 1 -0.5215(3)  .1930(3)  .1276(3)  .0947(12)
H20 1 -0.5669(3)  .2204(3)  .1650(3)  .114
C21 1 -0.5278(2)  .2323(2)  .0279(3)  .0819(10)
H21 1 -0.5786(2)  .2850(2)  -.0028(3)  .098
C22 1 -0.4578(3)  .1927(3)  -.0265(2)  .0683(9)
_cod_database_code 2004772