#------------------------------------------------------------------------------
#$Date: 2011-09-28 16:24:46 +0200 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/88/2008869.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_2008869
loop_
_publ_author_name
'Brennan, Conor J.'
'McKee, Vickie'
_publ_section_title
;
2,2'-Bi-2-imidazoline
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1492
_journal_page_last               1494
_journal_volume                  55
_journal_year                    1999
_chemical_formula_sum            'C6 H10 N4'
_chemical_formula_weight         138.18
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 105.659(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   5.1520(5)
_cell_length_b                   10.4720(11)
_cell_length_c                   6.3709(7)
_cell_measurement_temperature    163(2)
_cell_volume                     330.96(6)
_diffrn_ambient_temperature      163(2)
_exptl_crystal_density_diffrn    1.387
_[local]_cod_cif_authors_sg_H-M  'P 21/n'
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2008869
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'
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
N1 0.2082(3) 0.57187(12) 0.8197(2) 0.0301(4) Uani d . 1 . . N
N2 0.6367(3) 0.58447(13) 0.8017(2) 0.0340(4) Uani d . 1 . . N
C1 0.4559(3) 0.54046(13) 0.9017(2) 0.0222(4) Uani d . 1 . . C
C3 0.4990(3) 0.66357(15) 0.6186(2) 0.0306(4) Uani d . 1 . . C
H3A 0.5217 0.6298 0.4795 0.037 Uiso calc R 1 . . H
H3B 0.5637 0.7530 0.6377 0.037 Uiso calc R 1 . . H
C2 0.2052(3) 0.65294(16) 0.6283(3) 0.0357(5) Uani d . 1 . . C
H2A 0.1315 0.7385 0.6451 0.043 Uiso calc R 1 . . H
H2B 0.0923 0.6134 0.4932 0.043 Uiso calc R 1 . . H
H2 0.810(5) 0.5691(19) 0.842(3) 0.050 Uiso d . 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
N1 0.0201(7) 0.0382(8) 0.0328(7) 0.0021(5) 0.0086(5) 0.0086(5)
N2 0.0190(7) 0.0486(9) 0.0362(8) 0.0044(6) 0.0106(6) 0.0148(6)
C1 0.0192(7) 0.0243(7) 0.0245(7) -0.0013(5) 0.0084(5) -0.0043(6)
C3 0.0261(8) 0.0364(8) 0.0305(8) 0.0002(6) 0.0097(6) 0.0065(6)
C2 0.0255(9) 0.0448(10) 0.0372(9) 0.0033(7) 0.0093(7) 0.0142(7)
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
N1 C1 . 1.2847(19) y
N1 C2 . 1.4820(19) y
N2 C1 . 1.3436(19) y
N2 C3 . 1.450(2) y
C1 C1 3_667 1.479(3) y
C3 C2 . 1.536(2) y