#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2010281.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_2010281
_journal_name_full  'Acta Crystallographica'
_journal_year  1994
_journal_volume  C50
_journal_page_first  1941
_journal_page_last  1942
_publ_section_title
;
Redetermination of 2,2'-Bithiophene
;
loop_
_publ_author_name
  'Chaloner, P. A.'
  'Gunatunga, S. R.'
  'Hitchcock, P. B.'
_chemical_formula_moiety  'C8 H6 S2'
_chemical_formula_sum  'C8 H6 S2'
_chemical_formula_weight  166.3
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
_cell_length_a  7.873(3)
_cell_length_b  5.771(2)
_cell_length_c  8.813(2)
_cell_angle_alpha  90.
_cell_angle_beta  107.07(2)
_cell_angle_gamma  90.
_cell_volume  382.8
_cell_formula_units_Z  2
_cell_measurement_temperature  173
_exptl_crystal_density_diffrn  1.44
_refine_ls_R_factor_obs  0.056
_refine_ls_wR_factor_obs  0.072
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
  S .24966(7) .16898(9) -.37718(6) .0400(10)
  C1 .0751(2) -.0230(3) -.4317(2) .0340(10)
  C2 .1006(2) -.2180(3) -.3282(2) .0580(10)
  C3 .2676(3) -.1898(4) -.2062(2) .0490(10)
  C4 .3581(3) .0051(4) -.2190(2) .0480(10)
  H2 .009(3) -.340(4) -.320(3) .062(8)
  H3 .305(4) -.291(5) -.131(3) .094(10)
  H4 .472(3) .073(5) -.148(3) .060(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
  S C1 . 1.720(2) yes
  C1 C1 2_554 1.444(3) yes
  C2 C3 . 1.443(2) yes
  C3 C4 . 1.354(3) yes
  C4 H4 . 1.01(2) yes
  S C4 . 1.694(2) yes
  C1 C2 . 1.425(3) yes
  C2 H2 . 1.03(2) yes
  C3 H3 . 0.87(3) yes