#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005499.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_2005499
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year       1996
_journal_page_first    	2636
_journal_page_last    	2638
_publ_section_title
;
1,1'-Diketone and 1,1'-Dinitrile Derivatives of  2,2'-Bi-imidazole
;
_chemical_formula_moiety    	'C12 H14 N4 O2'
_chemical_formula_sum    	'C6 H7 N2 O'
_chemical_formula_weight    	246.3
_symmetry_cell_setting    	'Monoclinic'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_[local]_cod_cif_authors_sg_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    	8.1649(9)
_cell_length_b    	8.6999(13)
_cell_length_c    	8.9848(11)
_cell_angle_alpha    	90.00
_cell_angle_beta    	110.744(9)
_cell_angle_gamma    	90.00
_cell_volume    	596.85(13)
_cell_formula_units_Z    	2
_exptl_crystal_density_diffrn    	1.370
_cell_measurement_temperature    	288(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
    O 1 -0.0384(2) 0.1411(2) 0.6075(2) 0.0565(5)
    N1 1 0.0224(2) 0.3281(2) 0.3837(2) 0.0397(5)
    N2 1 0.2191(2) 0.5125(2) 0.4845(2) 0.0455(5)
    C1 1 0.0606(3) 0.4619(2) 0.4688(2) 0.0365(5)
    C2 1 0.1659(3) 0.2938(3) 0.3451(3) 0.0483(6)
    H2B 1 0.1799(3) 0.2064(3) 0.2855(3) 0.080
    C3 1 0.2838(3) 0.4070(3) 0.4066(3) 0.0510(6)
    H3A 1 0.3995(3) 0.4102(3) 0.4023(3) 0.080
    C4 1 -0.1351(3) 0.2357(3) 0.3418(2) 0.0436(5)
    H4A 1 -0.1346(3) 0.1620(3) 0.2625(2) 0.080
    H4B 1 -0.2330(3) 0.3030(3) 0.2949(2) 0.080
    C5 1 -0.1571(3) 0.1534(2) 0.4804(2) 0.0403(5)
    C6 1 -0.3326(3) 0.0849(3) 0.4484(3) 0.0580(7)
    H6A 1 -0.3356(3) 0.0345(3) 0.5425(3) 0.080
    H6B 1 -0.4197(3) 0.1645(3) 0.4179(3) 0.080
    H6C 1 -0.3564(3) 0.0114(3) 0.3636(3) 0.080
_cod_database_code 2005499