data_2200563
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2001
_journal_volume  57
_journal_page_first  o814
_journal_page_last  o815
_publ_section_title
;
N^s^,N^o^--Diphenyl(thiooxamide)
;
loop_
_publ_author_name
  'Rybakov, Victor B.'
  'Babaev, Eugene V.'
  'Dlinnykh, Ylya V.'
_chemical_formula_moiety  'C14 H12 N2 O1 S1'
_chemical_formula_sum  'C14 H12 N2 O1 S1'
_chemical_formula_iupac  'C14 H12 N2 O1 S1'
_chemical_formula_weight  256.32
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/c'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x, -y-1/2, z-1/2'
_cell_length_a  4.026(5)
_cell_length_b  14.682(9)
_cell_length_c  20.728(12)
_cell_angle_alpha  90.00
_cell_angle_beta  90.27(2)
_cell_angle_gamma  90.00
_cell_volume  1225.1(17)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.390
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_type_symbol
  S1  .0159(2)  .52917(6)  .19947(4)  .0492(3) Uani S
  O1  .4961(6)  .59769(14)  .04385(9)  .0481(6) Uani O
  C1  .3512(7)  .6064(2)  .09566(14)  .0343(7) Uani C
  N1  .3027(7)  .68254(17)  .12771(13)  .0393(6) Uani N
  C2  .2154(7)  .5217(2)  .12978(13)  .0344(7) Uani C
  N2  .2675(6)  .44728(16)  .09655(13)  .0364(6) Uani N
  C3  .3995(7)  .77316(19)  .11471(13)  .0335(7) Uani C
  C4  .5592(8)  .7986(2)  .05864(15)  .0405(8) Uani C
  C5  .6408(9)  .8888(2)  .04948(17)  .0504(9) Uani C
  C6  .5705(10)  .9530(3)  .09524(18)  .0556(10) Uani C
  C7  .4131(9)  .9272(2)  .15077(17)  .0517(9) Uani C
  C8  .3238(8)  .8381(2)  .16104(16)  .0428(8) Uani C
  C9  .1870(7)  .35680(19)  .11627(13)  .0337(7) Uani C
  C10  .0085(8)  .3011(2)  .07459(15)  .0388(7) Uani C
  C11  -.0629(9)  .2130(2)  .09314(17)  .0485(9) Uani C
  C12  .0412(9)  .1809(2)  .15159(17)  .0453(9) Uani C
  C13  .2195(9)  .2361(2)  .19245(16)  .0461(8) Uani C
  C14  .2958(8)  .3245(2)  .17498(16)  .0432(8) Uani C
  H1  .204(8)  .674(2)  .1634(16)  .045(9) Uiso H
  H2  .349(9)  .458(2)  .0615(16)  .056(11) Uiso H
  H4  .589(8)  .760(2)  .0264(14)  .046(9) Uiso H
  H5  .751(8)  .905(2)  .0110(16)  .052(9) Uiso H
  H6  .602(8) 1.020(3)  .0899(15)  .064(10) Uiso H
  H7  .353(8)  .972(2)  .1817(15)  .051(9) Uiso H
  H8  .223(8)  .817(2)  .2001(16)  .055(10) Uiso H
  H10  -.077(8)  .325(2)  .0346(14)  .046(9) Uiso H
  H11  -.196(9)  .178(3)  .0656(17)  .067(11) Uiso H
  H12  .001(8)  .129(2)  .1624(14)  .044(10) Uiso H
  H13  .293(7)  .2131(19)  .2342(14)  .040(8) Uiso H
  H14  .431(8)  .362(2)  .1998(14)  .050(10) Uiso H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
_atom_site_aniso_type_symbol
  S1  .0569(6)  .0432(5)  .0478(5)  -.0020(4)  .0212(4)  .0003(4) S
  O1  .0679(16)  .0380(12)  .0385(12)  -.0033(11)  .0155(11)  -.0001(10) O
  C1  .0342(17)  .0338(17)  .0349(16)  -.0005(13)  .0009(13)  .0023(14) C
  N1  .0444(16)  .0329(15)  .0406(15)  -.0031(12)  .0091(13)  -.0004(12) N
  C2  .0292(16)  .0360(17)  .0379(15)  -.0016(13)  -.0020(13)  .0002(14) C
  N2  .0418(16)  .0311(14)  .0365(14)  -.0023(11)  .0066(12)  .0013(12) N
  C3  .0285(16)  .0307(16)  .0412(16)  .0000(12)  -.0061(13)  .0024(13) C
  C4  .045(2)  .0351(18)  .0413(18)  -.0034(15)  .0042(15)  .0009(15) C
  C5  .055(2)  .045(2)  .051(2)  -.0095(17)  .0035(17)  .0075(17) C
  C6  .061(2)  .036(2)  .070(2)  -.0113(17)  -.0090(19)  .0009(18) C
  C7  .058(2)  .039(2)  .058(2)  .0037(17)  -.0013(18)  -.0114(17) C
  C8  .045(2)  .0391(19)  .0447(19)  .0044(15)  .0010(16)  -.0008(15) C
  C9  .0342(17)  .0298(16)  .0371(16)  -.0015(13)  .0084(13)  .0011(13) C
  C10  .0397(18)  .0382(18)  .0386(17)  .0024(15)  .0029(15)  .0006(15) C
  C11  .050(2)  .042(2)  .053(2)  -.0106(16)  .0005(17)  -.0016(17) C
  C12  .050(2)  .0294(19)  .057(2)  -.0048(15)  .0105(17)  .0059(16) C
  C13  .055(2)  .0413(19)  .0416(19)  .0032(17)  .0016(16)  .0095(16) C
  C14  .045(2)  .042(2)  .0427(18)  -.0039(16)  -.0007(15)  .0025(16) C
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 C2 . . 1.660(3) yes
  O1 C1 . . 1.231(3) yes
  C1 N1 . . 1.316(4) yes
  C1 C2 . . 1.532(4) yes
  N1 C3 . . 1.413(4) yes
  N1 H1 . .  .85(3) yes
  C2 N2 . . 1.310(4) yes
  N2 C9 . . 1.428(4) yes
  N2 H2 . .  .81(3) yes
  C3 C4 . . 1.383(4) no
  C3 C8 . . 1.389(4) no
  C4 C5 . . 1.377(5) no
  C4 H4 . .  .88(3) no
  C5 C6 . . 1.368(5) no
  C5 H5 . .  .94(3) no
  C6 C7 . . 1.370(5) no
  C6 H6 . . 1.00(4) no
  C7 C8 . . 1.373(5) no
  C7 H7 . .  .95(3) no
  C8 H8 . .  .96(3) no
  C9 C14 . . 1.376(4) no
  C9 C10 . . 1.388(4) no
  C10 C11 . . 1.380(5) no
  C10 H10 . .  .96(3) no
  C11 C12 . . 1.364(5) no
  C11 H11 . .  .94(4) no
  C12 C13 . . 1.372(5) no
  C12 H12 . .  .82(3) no
  C13 C14 . . 1.382(5) no
  C13 H13 . .  .97(3) no
  C14 H14 . .  .93(3) no