#------------------------------------------------------------------------------
#$Date: 2009-11-16 02:43:51 +0100 (Mon, 16 Nov 2009) $
#$Revision: 853 $
#$URL: svn://www.crystallography.net/cod/cif/2/2008869.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
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1999
_journal_volume 55
_journal_page_first  1492
_journal_page_last  1494
_publ_section_title
;
2,2'-Bi-2-imidazoline
;
_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_
_publ_author_name
  'Brennan, Conor J.'
  'McKee, Vickie'
_chemical_formula_sum  'C6 H10 N4'
_chemical_formula_weight  138.18
_symmetry_cell_setting  Monoclinic
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  5.1520(5)
_cell_length_b  10.4720(11)
_cell_length_c  6.3709(7)
_cell_angle_alpha  90.00
_cell_angle_beta  105.659(2)
_cell_angle_gamma  90.00
_cell_volume  330.96(6)
_cell_formula_units_Z  2
_cell_measurement_temperature  163(2)
_exptl_crystal_density_diffrn  1.387
_diffrn_ambient_temperature  163(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