#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2010310.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_2010310
_journal_name_full  'Acta Crystallographica'
_journal_year  1994
_journal_volume  C50
_journal_page_first  2077
_journal_page_last  2079
_publ_section_title
;
A 5,6-Dihydroimidazo[2,1-b]thiazole Derivative
;
loop_
_publ_author_name
  'Zukerman-Schpector, J.'
_chemical_formula_sum  'C16 H16 N4 O S'
_chemical_formula_weight  312.40
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'C 2/c'
_symmetry_space_group_name_Hall  '-C 2yc'
_cell_length_a  21.217(2)
_cell_length_b  11.5550(10)
_cell_length_c  13.079(2)
_cell_angle_alpha  90.
_cell_angle_beta  108.610(10)
_cell_angle_gamma  90.
_cell_volume  3039.0(10)
_cell_formula_units_Z  8
_cell_measurement_temperature  292
_exptl_crystal_density_diffrn  1.366
_refine_ls_R_factor_obs  0.037
_refine_ls_wR_factor_obs  0.041
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
  S .18500(10)
  .24000(10)
  .26800(10)
  O .18130(10)
  .3420(2) -.08840(10)
  N(1) .11800(10)
  .3541(2) .1025(2)
  N(2) .22440(10)
  .3313(2) .1019(2)
  N(3) .11270(10)
  .5500(2) .0538(2)
  N(4) .09310(10)
  .6367(2) -.0190(2)
  C(1) .10040(10)
  .2700(2) .2458(2)
  C(2) .07320(10)
  .3313(2) .1573(2)
  C(3) .11780(10)
  .4311(2) .0152(2)
  C(4) .19070(10)
  .4036(2) .0075(2)
  C(5) .18080(10)
  .3112(2) .1487(2)
  C(6) .06100(10)
  .4078(2) -.0875(2)
  C(7) .13490(10)
  .5899(2) .1567(2)
  C(8) .12830(10)
  .7074(2) .1503(2)
  C(9) .10290(10)
  .7314(2) .0420(2)
  C(10) .23150(10)
  .5136(2) .0082(2)
  C(11) .30310(10)
  .4876(2) .0202(2)
  C(12) .34810(10)
  .4701(2) .1221(2)
  C(13) .41380(10)
  .4436(3) .1354(3)
  C(14) .43510(10)
  .4339(3) .0468(3)
  C(15) .39140(10)
  .4526(2) -.0546(3)
  C(16) .32520(10)
  .4793(2) -.0679(2)
  H(O) .2194 .2903 -.0782
  H(C1) .0797 .2390 .3012
  H(C2) .0208 .3592 .1229
  H(C6 .0622 .3275 -.1080
  H'(C6) .0201 .4176 -.0775
  H"(C6) .0631 .4687 -.1441
  H(C7) .1542 .5385 .2284
  H(C8) .1391 .7617 .2164
  H(C9) .0902 .8094 .0061
  H(C10) .2274 .5639 .0663
  H'(C10) .2120 .5565 -.0609
  H(C12) .3363 .4739 .1973
  H(C13) .4489 .4238 .2115
  H(C14) .4855 .4147 .0503
  H(C15) .4027 .4441 -.1270
  H(C16 .2867 .4921 -.1472
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
  S C(1) 1.759(3) yes
  O C(4) 1.400(3) yes
  N(1) C(3) 1.447(3) yes
  N(2) C(4) 1.473(3) yes
  N(3) N(4) 1.353(3) yes
  N(3) C(7) 1.357(3) yes
  C(1) C(2) 1.322(4) yes
  C(3) C(6) 1.515(3) yes
  C(7) C(8) 1.365(4) yes
  C(10) C(11) 1.507(4) yes
  C(11) C(16) 1.379(4) yes
  C(13) C(14) 1.376(5) yes
  C(15) C(16) 1.394(4) yes
  S C(5) 1.741(2) yes
  N(1) C(2) 1.386(4) yes
  N(1) C(5) 1.368(3) yes
  N(2) C(5) 1.283(3) yes
  N(3) C(3) 1.480(3) yes
  N(4) C(9) 1.331(3) yes
  C(3) C(4) 1.613(4) yes
  C(4) C(10) 1.536(3) yes
  C(8) C(9) 1.373(4) yes
  C(11) C(12) 1.384(4) yes
  C(12) C(13) 1.383(4) yes
  C(14) C(15) 1.371(5) yes