data_2010345
_journal_name_full  'Acta Crystallographica'
_journal_year  1994
_journal_volume  C50
_journal_page_first  1986
_journal_page_last  1988
_publ_section_title
;
2-[Bis(methoxycarbonyl)methylene]-3-phenyl-1,3-thiazolidine
;
loop_
_publ_author_name
  'Heinemann, F.W.'
  'Hartung, H.'
  'Cleve, D.'
  'Rudorf, W.-D.'
_chemical_formula_sum  'C14 H15 N O4 S'
_chemical_formula_weight  293.34
_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,1/2-y,1/2+z'
  '-x,-y,-z'
  '-x,1/2+y,1/2-z'
_cell_length_a  15.224(2)
_cell_length_b  6.0680(10)
_cell_length_c  14.9680(10)
_cell_angle_alpha  90.
_cell_angle_beta  90.870(10)
_cell_angle_gamma  90.
_cell_volume  1382.6
_cell_formula_units_Z  4
_cell_measurement_temperature  293
_exptl_crystal_density_diffrn  1.409
_refine_ls_R_factor_obs  0.039
_refine_ls_wR_factor_obs  0.046
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
  S1 .91248(3) .18160(9) .48686(3) .0484(2)
  O1 .69535(9) .0145(2) .23140(10)
  .0570(5)
  O2 .92456(9) -.1649(2) .37684(9) .0562(5)
  O3 .75243(8) .3516(2) .24372(8) .0484(4)
  O4 .86288(8) -.1800(2) .24076(8) .0479(4)
  N1 .76648(9) .3720(3) .44400(10)
  .0441(5)
  C1 .82080(10)
  .2113(3) .41540(10)
  .0361(5)
  C2 .80960(10)
  .0835(3) .33950(10)
  .0347(5)
  C3 .8808(2) .4108(6) .5553(2) .0800(10)
  C4 .8014(2) .5147(4) .51550(10)
  .0542(7)
  C5 .67610(10)
  .3952(3) .41800(10)
  .0420(5)
  C6 .61920(10)
  .2213(4) .42890(10)
  .0484(6)
  C7 .53140(10)
  .2479(5) .4064(2) .0645(8)
  C8 .5008(2) .4455(5) .3734(2) .0748(10)
  C9 .5582(2) .6179(5) .3632(2) .0780(10)
  C10 .6460(2) .5942(4) .3863(2) .0632(8)
  C11 .74520(10)
  .1395(3) .26770(10)
  .0373(5)
  C12 .86990(10)
  -.0972(3) .32380(10)
  .0375(5)
  C13 .6902(2) .4319(5) .1776(2) .0720(10)
  C14 .9244(2) -.3534(4) .2197(2) .0582(8)
  H6 .6410(10)
  .086(4) .4510(10)
  .049(5)
  H7 .497(2) .116(4) .415(2) .075(8)
  H8 .442(2) .468(5) .359(2) .101(9)
  H9 .538(2) .761(5) .339(2) .097(9)
  H10 .685(2) .714(4) .375(2) .091(9)
  H31 .862(2) .348(6) .625(3) .162(15)
  H32 .924(2) .488(5) .571(2) .103(10)
  H41 .817(2) .651(5) .486(2) .114(11)
  H42 .755(2) .538(4) .557(2) .079(7)
  H131 .700(2) .363(6) .123(2) .126(12)
  H132 .625(2) .386(5) .195(2) .097(9)
  H133 .698(2) .587(6) .168(2) .115(11)
  H141 .984(2) -.294(4) .221(2) .085(8)
  H142 .916(2) -.476(4) .260(2) .077(8)
  H143 .909(2) -.393(5) .159(2) .108(10)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  S1 C1 . . 1.754(2) yes
  S1 C3 . . 1.797(3) yes
  O1 C11 . . 1.198(2) yes
  O2 C12 . . 1.213(2) yes
  O3 C11 . . 1.341(2) yes
  O4 C12 . . 1.343(2) yes
  N1 C1 . . 1.352(2) yes
  N1 C4 . . 1.470(3) yes
  N1 C5 . . 1.431(2) yes
  C1 C2 . . 1.385(2) yes
  C2 C11 . . 1.482(2) yes
  C2 C12 . . 1.452(2) yes
  C3 C4 . . 1.480(4) yes
  C3 H31 . . 1.15(4)  no
  C3 H32 . . 0.83(3)  no
  C4 H41 . . 0.97(3)  no
  C4 H42 . . 0.96(2)  no
  C5 C6 . . 1.377(3)  no
  C5 C10 . . 1.374(3)  no
  C6 C7 . . 1.384(3)  no
  C6 H6 . . 0.94(2)  no
  C7 C8 . . 1.375(4)  no
  C7 H7 . . 0.96(3)  no
  C8 C9 . . 1.373(4)  no
  C8 H8 . . 0.93(3)  no
  C9 C10 . . 1.383(4)  no
  C9 H9 . . 0.99(3)  no
  C10 H10 . . 0.95(3)  no
  C13 H131 . . 0.93(3)  no
  C13 H132 . . 1.06(3)  no
  C13 H133 . . 0.96(3)  no
  C14 H141 . . 0.97(3)  no
  C14 H142 . . 0.96(3)  no
  C14 H143 . . 0.97(3)  no