#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/03/2010399.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_2010399
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1995
_journal_volume 51
_journal_page_first  76
_journal_page_last  77
_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
  '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  8.670(3)
_cell_length_b  3.902(2)
_cell_length_c  10.4630(10)
_cell_angle_alpha  90.
_cell_angle_beta  95.32(2)
_cell_angle_gamma  90.
_cell_volume  352.5(4)
_cell_formula_units_Z  2
_cell_measurement_temperature  293
_exptl_crystal_density_diffrn  1.585
_refine_ls_R_factor_obs  0.031
_refine_ls_wR_factor_obs  0.038
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
  S .65708(8) .3036(2) .86501(6)
  N .8262(3) .2622(8) 1.0773(2)
  C4 .6848(3) .3941(9) 1.1031(3)
  C5 .5785(3) .4368(7) 1.0022(2)
  C2 .8271(3) .2079(9) .9550(3)
  H1 .667(3) .449(8) 1.187(3)
  H2 .919(4) .112(9) .914(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
  S C2 1.715(3) yes
  S C5 1.725(3) yes
  N C2 1.297(4) yes
  N C4 1.380(4) yes
  C4 C5 1.346(4) yes
  C5 C5' 1.445(3) yes
  C4 H1 0.93(3) no
  C2 H2 1.01(3) no
_cod_database_code 2010399