#------------------------------------------------------------------------------
#$Date: 2009-11-16 01:43:51 +0000 (Mon, 16 Nov 2009) $
#$Revision: 853 $
#$URL: svn://www.crystallography.net/cod/cif/2/2010401.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_2010401
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1995
_journal_volume 51
_journal_page_first  72
_journal_page_last  75
_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
  'Benali-Cherif, N.'
  'Pierrot, M.'
  'Baudrion, C.'
  'Aune, J.P.'
_chemical_formula_moiety  'C6 H4 N2 S2'
_chemical_formula_sum  'C6 H4 N2 S2'
_chemical_formula_weight  168.24
_symmetry_cell_setting  monoclinic
_cell_length_a  5.673(2)
_cell_length_b  6.172(2)
_cell_length_c  11.5070(10)
_cell_angle_alpha  90.
_cell_angle_beta  61.79
_cell_angle_gamma  90.
_cell_volume  355.0(4)
_cell_formula_units_Z  2
_cell_measurement_temperature  293
_exptl_crystal_density_diffrn  1.574
_refine_ls_R_factor_obs  0.039
_refine_ls_wR_factor_obs  0.040
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
  S/C1 .2509(2) .2048(2) .96820(10)
  N .7424(4) .1914(4) .8835(2)
  C4 .7037(6) .3645(5) .8246(3)
  S/C2 .3976(3) .4186(2) .85710(10)
  C2 .5077(5) .0965(4) .9625(2)
  H1 .850(6) .454(6) .765(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
  N C2 1.340(4) yes
  N C4 1.345(5) yes
  C2 C4' 1.450(4) yes
  S/C1 C2 1.576(4) no
  S/C1 S/C2 1.750(2) no
  C4 S/C2 1.629(4) no