data_2010375
_journal_name_full  'Acta Crystallographica'
_journal_year  1995
_journal_volume  C51
_journal_page_first  109
_journal_page_last  112
_publ_section_title
;
2-[(3,4-Dimethoxybenzyl)(tosyl)amino]-2-phenylethanol
;
loop_
_publ_author_name
  'Arriortua, M.I.'
  'Urtiaga, M.K.'
  'Badia, D.'
  'Dominguez, E.'
  'Gonzalez Cameno, A.M.'
  'Solans, X.'
_chemical_formula_sum  'C24 H27 N O5 S'
_chemical_formula_weight  441.55
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
_symmetry_space_group_name_Hall  '-P 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, -z'
_cell_length_a  8.669(2)
_cell_length_b  10.553(2)
_cell_length_c  13.535(3)
_cell_angle_alpha  96.34(2)
_cell_angle_beta  105.91(3)
_cell_angle_gamma  105.02(2)
_cell_volume  1128.0(7)
_cell_formula_units_Z  2
_cell_measurement_temperature  298
_exptl_crystal_density_diffrn  1.300
_refine_ls_R_factor_obs  0.056
_refine_ls_wR_factor_obs  0.066
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
  S .18356(6) .76679(5) .29366(4)
  N .1584(2) .91080(10)
  .27650(10)
  O(1) .4266(2) 1.3326(2) .00090(10)
  O(2) .1689(2) 1.3576(2) .05160(10)
  O(3) .3634(2) 1.2062(2) .49040(10)
  O(4) .2076(2) .7087(2) .20050(10)
  O(5) .3109(2) .7898(2) .39170(10)
  C(1) .0695(2) .9242(2) .17050(10)
  C(2) .1720(2) 1.0325(2) .12910(10)
  C(3) .3123(3) 1.0217(2) .1042(2)
  C(4) .4010(3) 1.1191(2) .0609(2)
  C(5) .3498(2) 1.2304(2) .04290(10)
  C(6) .2091(2) 1.2441(2) .06990(10)
  C(7) .1207(2) 1.1447(2) .11120(10)
  C(8) .5641(5) 1.3217(4) -.0329(4)
  C(9) .0434(4) 1.3836(3) .0918(3)
  C(10) .1709(2) 1.0069(2) .37060(10)
  C(11) .0208(2) 1.0594(2) .35190(10)
  C(12) .0327(3) 1.1893(2) .3362(2)
  C(13) -.1089(3) 1.2328(3) .3153(2)
  C(14) -.2624(3) 1.1471(3) .3105(2)
  C(15) -.2751(3) 1.0193(3) .3282(2)
  C(16) -.1352(3) .9751(3) .3492(2)
  C(17) .3416(2) 1.1133(2) .4009(2)
  C(18) -.0056(3) .6665(2) .3063(2)
  C(19) -.1453(3) .6116(2) .2181(2)
  C(20) -.2977(3) .5449(2) .2296(2)
  C(21) -.3157(4) .5306(2) .3270(2)
  C(22) -.1747(4) .5836(3) .4130(2)
  C(23) -.0197(3) .6502(2) .4038(2)
  C(24) -.4868(5) .4637(3) .3381(3)
  H(1) -.037(4)  .941(3)  .165(2)
  H(1)A .035(4)  .845(3)  .129(3)
  H(3) .353(4)  .951(3)  .125(2)
  H(4) .498(4)  1.114(3)  .041(3)
  H(7) .028(4)  1.160(3)  .128(2)
  H(8) .616(4)  1.418(3)  -.048(2)
  H(8)A .654(5)  1.316(3)  .028(3)
  H(8)B .516(4)  1.247(4)  -.087(3)
  H(9) .048(4)  1.463(4)  .078(3)
  H(9)A -.059(5)  1.318(4)  .047(3)
  H(9)B .073(5)  1.384(3)  .161(3)
  H(10) .179(4)  .961(3)  .433(3)
  H(12) .134(4)  1.253(3)  .339(3)
  H(13) -.090(4)  1.326(3)  .302(2)
  H(14) -.359(4)  1.185(3)  .298(3)
  H(15) -.387(4)  .947(3)  .324(2)
  H(16) -.143(4)  .889(3)  .357(3)
  H(17) .429(4)  1.075(3)  .418(3)
  H(17)A .343(4)  1.158(3)  .337(3)
  H(19) -.143(4)  .613(3)  .148(3)
  H(20) -.396(4)  .512(3)  .164(3)
  H(22) -.189(4)  .570(3)  .483(3)
  H(23) .066(5)  .689(3)  .451(3)
  H(24) -.5803(5) .4291(3) .2615(3)
  H(24)A -.5213(5) .5349(3) .3846(3)
  H(24)B -.4796(5) .3798(3) .3761(3)
  H(O3) .446(5)  1.216(3)  .527(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
  N S 1.6230(10)
  yes
  O(4) S 1.432(2) yes
  O(5) S 1.423(2) yes
  C(18) S 1.770(2) yes
  C(1) N 1.471(2) yes
  C(10) N 1.498(2) yes
  C(5) O(1) 1.378(2) yes
  C(8) O(1) 1.415(3) yes
  C(6) O(2) 1.361(2) yes
  C(9) O(2) 1.415(3) yes
  C(17) O(3) 1.407(2) yes
  C(2) C(1) 1.516(3) yes
  C(3) C(2) 1.377(3) yes
  C(7) C(2) 1.391(2) yes
  C(4) C(3) 1.400(3) yes
  C(5) C(4) 1.382(3) yes
  C(6) C(5) 1.403(2) yes
  C(7) C(6) 1.395(3) yes
  C(11) C(10) 1.513(2) yes
  C(17) C(10) 1.524(3) yes
  C(12) C(11) 1.392(3) yes
  C(16) C(11) 1.401(3) yes
  C(13) C(12) 1.389(3) yes
  C(14) C(13) 1.381(4) yes
  C(15) C(14) 1.377(4) yes
  C(16) C(15) 1.379(3) yes
  C(19) C(18) 1.385(3) yes
  C(23) C(18) 1.383(3) yes
  C(20) C(19) 1.385(3) yes
  C(21) C(20) 1.390(3) yes
  C(22) C(21) 1.372(4) yes
  C(24) C(21) 1.523(4) yes
  C(23) C(22) 1.392(4) yes
  O(3) H(O3) 0.7269 no
  C(1) H(1) 0.9726 no
  C(1) H(1)A 0.8829 no
  C(3) H(3) 0.9398 no
  C(4) H(4) 0.9681 no
  C(7) H(7) 0.9380 no
  C(8) H(8) 1.0693 no
  C(8) H(8)A 0.9843 no
  C(8) H(8)B 0.9334 no
  C(9) H(9) 0.8741 no
  C(9) H(9)A 0.9642 no
  C(9) H(9)B 0.9033 no
  C(10) H(10) 1.0136 no
  C(12) H(12) 0.9441 no
  C(13) H(13) 1.0021 no
  C(14) H(14) 1.0045 no
  C(15) H(15) 1.0484 no
  C(16) H(16) 0.9127 no
  C(17) H(17) 0.9345 no
  C(17) H(17)A 1.0367 no
  C(17) H(O3) 1.7761 no
  C(19) H(19) 0.9585 no
  C(20) H(20) 0.9990 no
  C(22) H(22) 1.0058 no
  C(23) H(23) 0.8068 no
  C(24) H(24) 1.0805 no
  C(24) H(24)A 1.0795 no
  C(24) H(24)B 1.0789 no
  H(17) H(O3) 1.9215 no
  H(17)A H(O3) 2.4367 no