#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2001981.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_2001981
_journal_name_full 'Acta Crystallographica, Section C'
_journal_year 1993
_journal_volume C49
_journal_page_first 333
_journal_page_last 336
loop_
_publ_author_name
'Yoshida, S.'
'Matsuzawa, H.'
'Kozawa, K.'
'Uchida, T.'
_chemical_formula_moiety ?
_chemical_formula_sum 'C16 H11 N1 S1'
_chemical_formula_weight 249.3
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/a'
_symmetry_space_group_name_Hall ?
_cell_length_a 19.703(3)
_cell_length_b 5.365(2)
_cell_length_c 11.5230(10)
_cell_angle_alpha  90
_cell_angle_beta 95.480(10)
_cell_angle_gamma  90
_cell_volume 1212.5(4)
_cell_formula_units_Z 4
_exptl_crystal_density_diffrn 1.37
_exptl_crystal_density_meas 1.39
_exptl_crystal_F_000 520
_exptl_absorpt_coefficient_mu 0.23
_diffrn_radiation_type Mo
_diffrn_radiation_wavelength 0.71073
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
S .70359(3) .07030(10)
 .76250(10)
N .73690(10)
   .5088(4) .9159(2)
C(1) .78230(10)
  .4720(4) .8291(2)
C(2) .83920(10)
  .6320(5) .8262(2)
C(3) .88340(10)
  .5994(5) .7429(2)
C(4) .87310(10)
  .4096(5) .6577(2)
C(5) .91750(10)
  .3769(6) .5690(2)
C(6) .9069(2) .1919(7) .4884(2)
C(7) .8510(2) .0313(6) .4910(2)
C(8) .80630(10)
  .0564(5) .5744(2)
C(9) .81620(10)
  .2472(4) .6600(2)
C(10) .77180(10)
   .2808(4) .7497(2)
C(11) .64370(10)
   .2825(4) .8106(2)
C(12) .57410(10)
   .2504(5) .7789(2)
C(13) .52730(10)
   .4070(6) .8228(3)
C(14) .54950(10)
   .6021(6) .8958(2)
C(15) .61870(10)
   .6392(5) .9264(2)
C(16) .66610(10)
   .4788(4) .8842(2)