#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2007218.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_2007218
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1998
_journal_volume 54
_journal_page_first  661
_journal_page_last  662
_publ_section_title
;
6,6'-Dimethyl-2,2'-bipyridyl
;
_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_
_publ_author_name
  'Coles, Simon J.'
  'Hursthouse, Michael B.'
  'Seng\"ul, Abdurrahman'
  'Gillard, Robert D.'
_chemical_name_common
;
6,6'-dimethyl-2,2'-bipyridyl
;
_chemical_formula_sum  'C12 H12 N2'
_chemical_formula_weight  184.24
_chemical_melting_point  .361E-305
_symmetry_cell_setting  Monoclinic
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  6.775(5)
_cell_length_b  11.146(3)
_cell_length_c  7.055(4)
_cell_angle_alpha  90.00
_cell_angle_beta  111.72(6)
_cell_angle_gamma  90.00
_cell_volume  494.9(4)
_cell_formula_units_Z  2
_cell_measurement_temperature  150(2)
_exptl_crystal_density_diffrn  1.241
_diffrn_ambient_temperature  150(2)
_refine_ls_R_factor_obs  .051
_refine_ls_wR_factor_obs  .132
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
  N1  .1727(2)  .93160(12)  .23584(18)  .0234(5) Uani d . 1 . N
  C1  .1612(3)  .87398(16)  .3979(2)  .0261(5) Uani d . 1 . C
  C2  -.0314(3)  .85038(15)  .4186(2)  .0293(6) Uani d . 1 . C
  H2  -.0348  .8092  .5320  .035 Uiso calc R 1 . H
  C3  -.2177(3)  .88897(16)  .2681(2)  .0299(6) Uani d . 1 . C
  H3  -.3481  .8751  .2797  .036 Uiso calc R 1 . H
  C4  -.2069(3)  .94819(15)  .1010(2)  .0255(5) Uani d . 1 . C
  H4  -.3303  .9743  -.0026  .031 Uiso calc R 1 . H
  C5  -.0102(2)  .96851(13)  .0887(2)  .0207(5) Uani d . 1 . C
  C6  .3692(3)  .83563(17)  .5572(3)  .0381(6) Uani d . 1 . C
  H6A  .4291  .7719  .5042  .057 Uiso calc R 1 . H
  H6B  .3459  .8080  .6762  .057 Uiso calc R 1 . H
  H6C  .4653  .9025  .5931  .057 Uiso calc R 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  .0244(9)  .0244(8)  .0172(8)  .0017(6)  .0028(6)  .0000(6)
  C1  .0333(11)  .0217(9)  .0186(9)  .0008(7)  .0041(8)  -.0010(7)
  C2  .0432(13)  .0237(11)  .0207(9)  -.0059(8)  .0116(9)  .0001(8)
  C3  .0304(11)  .0331(11)  .0281(10)  -.0102(8)  .0130(9)  -.0057(8)
  C4  .0205(10)  .0319(10)  .0208(9)  -.0012(8)  .0036(7)  -.0030(8)
  C5  .0220(10)  .0178(9)  .0184(8)  .0002(7)  .0028(7)  -.0029(7)
  C6  .0439(13)  .0417(13)  .0229(9)  .0099(9)  .0058(9)  .0095(8)
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 . 1.338(2) y
  N1 C5 . 1.353(2) y
  C1 C2 . 1.390(3) y
  C1 C6 . 1.503(3) y
  C2 C3 . 1.383(3) y
  C3 C4 . 1.377(2) y
  C4 C5 . 1.386(2) y
  C5 C5 3_575 1.485(3) y
_cod_database_code 2007218