#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005500.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_2005500
_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    	'C10 H8 N6'
_chemical_formula_sum    	'C5 H4 N3'
_chemical_formula_weight    	212.2
_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    	7.1044(9)
_cell_length_b    	5.2590(5)
_cell_length_c    	13.421(2)
_cell_angle_alpha    	90.00
_cell_angle_beta    	99.646(10)
_cell_angle_gamma    	90.00
_cell_volume    	494.35(10)
_cell_formula_units_Z    	2
_exptl_crystal_density_diffrn    	1.426
_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
    N1 1 0.6420(2) 0.2278(2) 0.58988(9) 0.0341(3)
    N2 1 0.3271(2) 0.1772(3) 0.56128(9) 0.0402(4)
    N3 1 0.9958(2) -0.2047(3) 0.66917(10) 0.0485(4)
    C1 1 0.4899(2) 0.0988(3) 0.53674(10) 0.0327(4)
    C2 1 0.5680(2) 0.3968(3) 0.65148(11) 0.0398(4)
    H2B 1 0.6385(2) 0.5088(3) 0.70055(11) 0.080
    C3 1 0.3769(2) 0.3631(3) 0.63289(11) 0.0426(4)
    H3A 1 0.2902(2) 0.4624(3) 0.66461(11) 0.080
    C4 1 0.8438(2) 0.2076(3) 0.58292(11) 0.0362(4)
    H4A 1 0.9073(2) 0.3526(3) 0.61662(11) 0.080
    H4B 1 0.8630(2) 0.2117(3) 0.51380(11) 0.080
    C5 1 0.9292(2) -0.0253(3) 0.63137(10) 0.0358(4)
_cod_database_code 2005500