data_2010572
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2000
_journal_volume  56
_journal_page_first  e21
_journal_page_last  e21
_publ_section_title
;
(1R,2R)-1,2-Diphenyl-1,2-bis(8-quinolinesulfonylamino)-
ethylenediamine--acetone (1/1)
;
loop_
_publ_author_name
  'Dong, Chune'
  'Zhang, Junlong'
  'Zhang, Liangfu'
  'Yu, Zuolong'
_chemical_formula_moiety  'C32 H26 N4 O4 S2, C3 H6 O'
_chemical_formula_sum  'C35 H32 N4 O5 S2'
_chemical_formula_iupac  'C32 H26 N4 O4 S2, C3 H6 O'
_chemical_formula_weight  652.77
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y+1/2, -z'
_cell_length_a  9.717(2)
_cell_length_b  9.4950(10)
_cell_length_c  17.542(3)
_cell_angle_alpha  90.00
_cell_angle_beta  97.130(10)
_cell_angle_gamma  90.00
_cell_volume  1606.0(5)
_cell_formula_units_Z  2
_cell_measurement_temperature  296(2)
_exptl_crystal_density_diffrn  1.350
_diffrn_ambient_temperature  296(2)
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_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  S1  .77133(6)  .13569(7)  .29480(3)  .03750(16) Uani d . 1 . . S
  S2  .46361(7)  .59288(7)  .24829(3)  .04496(18) Uani d . 1 . . S
  O1  .81699(18)  .1436(2)  .37498(9)  .0511(5) Uani d . 1 . . O
  O2  .63801(16)  .0750(2)  .26972(10)  .0504(5) Uani d . 1 . . O
  O3  .32708(19)  .5603(3)  .26519(11)  .0649(6) Uani d . 1 . . O
  O4  .4834(2)  .7064(2)  .19724(11)  .0638(6) Uani d . 1 . . O
  N1  .7677(2)  .2949(3)  .26177(12)  .0373(5) Uani d . 1 . . N
  N2 1.0766(2)  .1945(3)  .29681(12)  .0423(5) Uani d . 1 . . N
  N3  .5276(2)  .4517(3)  .21404(13)  .0399(5) Uani d . 1 . . N
  N4  .5346(2)  .3919(2)  .37985(12)  .0420(5) Uani d . 1 . . N
  C1  .8464(3)  .2347(4)  .06880(16)  .0570(8) Uani d . 1 . . C
  H1  .7695  .1781  .0541  .068 Uiso calc R 1 . . H
  C2  .9575(4)  .2344(4)  .02586(19)  .0795(11) Uani d . 1 . . C
  H2  .9554  .1766  -.0171  .095 Uiso calc R 1 . . H
  C3 1.0703(4)  .3193(4)  .0468(2)  .0746(11) Uani d . 1 . . C
  H3 1.1431  .3210  .0170  .090 Uiso calc R 1 . . H
  C4 1.0758(3)  .4011(4)  .11105(18)  .0616(9) Uani d . 1 . . C
  H4 1.1536  .4563  .1259  .074 Uiso calc R 1 . . H
  C5  .9655(3)  .4021(3)  .15418(15)  .0481(7) Uani d . 1 . . C
  H5  .9691  .4591  .1975  .058 Uiso calc R 1 . . H
  C6  .8503(3)  .3192(3)  .13343(13)  .0384(6) Uani d . 1 . . C
  C7  .7269(2)  .3202(3)  .17945(13)  .0341(6) Uani d . 1 . . C
  H7  .6639  .2444  .1598  .041 Uiso calc R 1 . . H
  C8  .8923(2)  .0335(3)  .25102(13)  .0369(6) Uani d . 1 . . C
  C9  .8478(3)  -.0844(3)  .21041(16)  .0491(7) Uani d . 1 . . C
  H9  .7542  -.1077  .2045  .059 Uiso calc R 1 . . H
  C10  .9418(4)  -.1705(4)  .17759(18)  .0641(9) Uani d . 1 . . C
  H10  .9100  -.2489  .1489  .077 Uiso calc R 1 . . H
  C11 1.0787(3)  -.1398(4)  .18756(18)  .0636(9) Uani d . 1 . . C
  H11 1.1406  -.2005  .1679  .076 Uiso calc R 1 . . H
  C12 1.1292(3)  -.0186(4)  .22689(15)  .0476(7) Uani d . 1 . . C
  C13 1.0358(2)  .0723(3)  .25941(13)  .0363(6) Uani d . 1 . . C
  C14 1.2098(3)  .2253(4)  .30157(15)  .0541(8) Uani d . 1 . . C
  H14 1.2395  .3096  .3251  .065 Uiso calc R 1 . . H
  C15 1.3095(3)  .1395(5)  .27354(17)  .0636(9) Uani d . 1 . . C
  H15 1.4024  .1659  .2803  .076 Uiso calc R 1 . . H
  C16 1.2710(3)  .0198(4)  .23711(17)  .0589(9) Uani d . 1 . . C
  H16 1.3368  -.0379  .2186  .071 Uiso calc R 1 . . H
  C17  .6778(3)  .5524(3)  .03745(14)  .0526(7) Uani d . 1 . . C
  H17  .7598  .5949  .0589  .063 Uiso calc R 1 . . H
  C18  .6392(3)  .5595(4)  -.04114(15)  .0603(8) Uani d . 1 . . C
  H18  .6952  .6067  -.0720  .072 Uiso calc R 1 . . H
  C19  .5200(3)  .4979(4)  -.07322(14)  .0553(8) Uani d . 1 . . C
  H19  .4942  .5027  -.1260  .066 Uiso calc R 1 . . H
  C20  .4380(3)  .4288(5)  -.02752(16)  .0683(10) Uani d . 1 . . C
  H20  .3564  .3863  -.0495  .082 Uiso calc R 1 . . H
  C21  .4749(3)  .4211(4)  .05077(14)  .0540(8) Uani d . 1 . . C
  H21  .4179  .3740  .0812  .065 Uiso calc R 1 . . H
  C22  .5961(2)  .4832(3)  .08436(13)  .0356(5) Uani d . 1 . . C
  C23  .6458(2)  .4613(3)  .16909(12)  .0338(5) Uani d . 1 . . C
  H23  .7064  .5393  .1883  .041 Uiso calc R 1 . . H
  C24  .5654(3)  .6295(3)  .33742(13)  .0409(6) Uani d . 1 . . C
  C25  .6184(3)  .7616(3)  .34956(17)  .0524(8) Uani d . 1 . . C
  H25  .6031  .8294  .3111  .063 Uiso calc R 1 . . H
  C26  .6964(4)  .7955(4)  .42025(18)  .0653(9) Uani d . 1 . . C
  H26  .7331  .8855  .4283  .078 Uiso calc R 1 . . H
  C27  .7181(3)  .6976(4)  .47662(18)  .0622(9) Uani d . 1 . . C
  H27  .7695  .7213  .5231  .075 Uiso calc R 1 . . H
  C28  .6639(3)  .5600(3)  .46587(15)  .0487(7) Uani d . 1 . . C
  C29  .5862(3)  .5236(3)  .39472(14)  .0404(6) Uani d . 1 . . C
  C30  .5557(3)  .2990(3)  .43453(15)  .0505(7) Uani d . 1 . . C
  H30  .5220  .2084  .4243  .061 Uiso calc R 1 . . H
  C31  .6259(3)  .3262(4)  .50787(17)  .0589(9) Uani d . 1 . . C
  H31  .6346  .2562  .5452  .071 Uiso calc R 1 . . H
  C32  .6800(3)  .4539(4)  .52334(15)  .0580(8) Uani d . 1 . . C
  H32  .7280  .4732  .5714  .070 Uiso calc R 1 . . H
  O5  .9053(2)  .5499(3)  .32269(12)  .0704(6) Uani d . 1 . . O
  C33  .9916(3)  .5811(4)  .37568(17)  .0598(8) Uani d . 1 . . C
  C34 1.0509(4)  .7258(5)  .3805(2)  .0843(12) Uani d . 1 . . C
  H34A 1.1350  .7273  .3570  .101 Uiso calc R .001 . . H
  H34B 1.0707  .7530  .4335  .101 Uiso calc R .001 . . H
  H34C  .9854  .7904  .3543  .101 Uiso calc R .001 . . H
  C35 1.0382(5)  .4750(6)  .4339(2)  .1198(18) Uani d . 1 . . C
  H35A  .9856  .3901  .4234  .144 Uiso calc R .001 . . H
  H35B 1.0247  .5098  .4838  .144 Uiso calc R .001 . . H
  H35C 1.1348  .4555  .4325  .144 Uiso calc R .001 . . H
  H1N  .834(3)  .341(3)  .2766(15)  .043(9) Uiso d . 1 . . H
  H3N  .535(3)  .390(3)  .2437(15)  .036(8) Uiso d . 1 . . 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
  S1  .0318(3)  .0398(4)  .0419(3)  .0042(3)  .0083(2)  .0107(3)
  S2  .0509(4)  .0448(4)  .0393(3)  .0147(3)  .0061(3)  .0040(3)
  O1  .0535(10)  .0607(12)  .0403(9)  .0161(11)  .0111(8)  .0147(10)
  O2  .0311(8)  .0480(12)  .0727(11)  .0004(9)  .0090(8)  .0158(11)
  O3  .0449(10)  .0844(17)  .0652(12)  .0186(12)  .0062(9)  -.0043(13)
  O4  .1001(16)  .0482(13)  .0443(10)  .0238(13)  .0133(11)  .0122(10)
  N1  .0387(12)  .0382(13)  .0341(11)  -.0002(11)  .0012(10)  .0028(10)
  N2  .0362(11)  .0438(13)  .0471(11)  -.0011(11)  .0055(9)  .0008(11)
  N3  .0497(14)  .0369(13)  .0340(11)  .0040(11)  .0085(10)  .0043(11)
  N4  .0472(13)  .0416(13)  .0385(11)  -.0017(11)  .0098(10)  .0042(11)
  C1  .0639(18)  .0533(19)  .0555(16)  -.0044(17)  .0142(15)  -.0107(15)
  C2  .108(3)  .075(3)  .063(2)  .006(3)  .040(2)  -.015(2)
  C3  .068(2)  .083(3)  .079(2)  .009(2)  .0377(19)  .007(2)
  C4  .0457(17)  .077(2)  .0638(19)  -.0001(17)  .0134(14)  .0147(19)
  C5  .0454(16)  .0552(19)  .0435(14)  -.0019(15)  .0047(12)  .0054(14)
  C6  .0445(14)  .0376(14)  .0336(12)  .0065(12)  .0070(11)  .0045(11)
  C7  .0399(13)  .0312(14)  .0301(11)  -.0007(11)  -.0005(10)  .0008(10)
  C8  .0361(13)  .0366(14)  .0376(12)  .0030(12)  .0034(10)  .0038(11)
  C9  .0475(16)  .0473(18)  .0518(15)  -.0037(14)  .0027(13)  -.0025(14)
  C10  .076(2)  .053(2)  .0628(19)  -.0006(19)  .0047(17)  -.0224(17)
  C11  .066(2)  .061(2)  .068(2)  .0153(19)  .0209(17)  -.0122(18)
  C12  .0423(14)  .0588(19)  .0434(14)  .0093(15)  .0115(11)  .0027(14)
  C13  .0332(12)  .0410(15)  .0347(11)  .0059(12)  .0041(9)  .0057(12)
  C14  .0410(15)  .066(2)  .0542(16)  -.0124(16)  .0008(13)  .0035(16)
  C15  .0311(13)  .098(3)  .0620(17)  -.0035(19)  .0072(12)  .011(2)
  C16  .0419(16)  .081(2)  .0563(17)  .0144(17)  .0170(13)  .0078(18)
  C17  .0607(17)  .0518(18)  .0433(13)  -.0188(16)  -.0018(12)  .0103(14)
  C18  .076(2)  .064(2)  .0408(13)  -.0149(19)  .0085(13)  .0138(16)
  C19  .0639(19)  .070(2)  .0303(12)  .0047(18)  -.0013(12)  .0014(14)
  C20  .0527(18)  .103(3)  .0452(15)  -.017(2)  -.0095(13)  .0049(19)
  C21  .0414(15)  .080(2)  .0399(14)  -.0151(16)  .0007(12)  .0094(16)
  C22  .0390(13)  .0327(13)  .0349(11)  .0029(12)  .0028(10)  .0026(11)
  C23  .0368(13)  .0320(13)  .0319(11)  -.0035(12)  .0020(9)  .0009(11)
  C24  .0476(13)  .0413(15)  .0361(11)  .0025(14)  .0143(10)  .0012(12)
  C25  .070(2)  .0404(17)  .0508(16)  .0020(16)  .0221(15)  -.0003(14)
  C26  .083(2)  .0497(19)  .065(2)  -.0160(19)  .0177(18)  -.0113(17)
  C27  .069(2)  .067(2)  .0502(16)  -.0122(19)  .0054(15)  -.0164(18)
  C28  .0482(16)  .058(2)  .0411(13)  .0009(15)  .0103(11)  -.0023(14)
  C29  .0402(14)  .0447(16)  .0388(13)  .0017(13)  .0147(11)  .0008(12)
  C30  .0544(17)  .0473(17)  .0511(16)  -.0023(15)  .0112(14)  .0102(14)
  C31  .0618(19)  .066(2)  .0496(17)  .0072(18)  .0086(15)  .0199(16)
  C32  .0618(19)  .075(2)  .0366(14)  -.0003(19)  .0026(13)  .0025(16)
  O5  .0738(15)  .0680(16)  .0654(13)  -.0070(13)  -.0069(11)  -.0121(12)
  C33  .0586(18)  .065(2)  .0538(16)  .0028(18)  -.0011(14)  -.0121(17)
  C34  .080(3)  .082(3)  .085(2)  -.022(2)  -.013(2)  -.001(2)
  C35  .170(5)  .097(4)  .081(3)  .056(4)  -.027(3)  .005(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  S1 O1 . 1.4234(17) ?
  S1 O2 . 1.4360(19) ?
  S1 N1 . 1.617(2) ?
  S1 C8 . 1.771(3) ?
  S2 O3 . 1.429(2) ?
  S2 O4 . 1.429(2) ?
  S2 N3 . 1.624(2) ?
  S2 C24 . 1.778(3) ?
  N1 C7 . 1.469(3) ?
  N2 C14 . 1.319(3) ?
  N2 C13 . 1.367(3) ?
  N3 C23 . 1.474(3) ?
  N4 C30 . 1.300(3) ?
  N4 C29 . 1.360(3) ?
  C1 C6 . 1.386(4) ?
  C1 C2 . 1.391(4) ?
  C2 C3 . 1.373(5) ?
  C3 C4 . 1.365(5) ?
  C4 C5 . 1.387(4) ?
  C5 C6 . 1.380(4) ?
  C6 C7 . 1.526(3) ?
  C7 C23 . 1.553(4) ?
  C8 C9 . 1.368(4) ?
  C8 C13 . 1.432(3) ?
  C9 C10 . 1.401(4) ?
  C10 C11 . 1.352(4) ?
  C11 C12 . 1.399(5) ?
  C12 C16 . 1.416(4) ?
  C12 C13 . 1.422(4) ?
  C14 C15 . 1.401(5) ?
  C15 C16 . 1.334(5) ?
  C17 C22 . 1.379(3) ?
  C17 C18 . 1.385(3) ?
  C18 C19 . 1.356(4) ?
  C19 C20 . 1.366(4) ?
  C20 C21 . 1.377(4) ?
  C21 C22 . 1.382(3) ?
  C22 C23 . 1.519(3) ?
  C24 C25 . 1.362(4) ?
  C24 C29 . 1.419(4) ?
  C25 C26 . 1.408(4) ?
  C26 C27 . 1.355(5) ?
  C27 C28 . 1.413(5) ?
  C28 C29 . 1.419(4) ?
  C28 C32 . 1.420(4) ?
  C30 C31 . 1.403(4) ?
  C31 C32 . 1.336(5) ?
  O5 C33 . 1.209(3) ?
  C33 C35 . 1.465(5) ?
  C33 C34 . 1.488(5) ?