data_2002072
_journal_name_full 'Acta Crystallographica, Section C'
_journal_year 1993
_journal_volume C49
_journal_page_first 107
_journal_page_last 109
loop_
_publ_author_name
'Eswaramoorthy, s.'
'Raju, K.S.'
'Ponnuswamy, M.N.'
_chemical_formula_moiety ?
_chemical_formula_sum 'C17 H18 N2 O1 S1'
_chemical_formula_weight 298.4
_symmetry_cell_setting orthorhombic
_symmetry_space_group_name_H-M 'P b c a'
_symmetry_space_group_name_Hall '-P 2ac 2ab'
_cell_length_a 36.276(7)
_cell_length_b 10.469(3)
_cell_length_c 8.229(3)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume 3125.2(5)
_cell_formula_units_Z 8
_exptl_crystal_density_diffrn 1.27
_exptl_crystal_density_meas ?
_exptl_crystal_F_000 1264
_exptl_absorpt_coefficient_mu 1.728
_diffrn_radiation_type Cu
_diffrn_radiation_wavelength 1.5418
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
S .34820(10)
   .14670(10)
.1526(2)
N1 .43140(10)
-.0631(4) .2992(5)
C2 .41350(10)
.0114(4) .1863(5)
C3 .38000(10)
.0453(4) .2482(6)
C4 .37670(10)
-.0096(4) .4060(6)
C5 .34980(10)
-.0067(5) .5275(7)
C6 .3559(2) -.0749(6) .6678(8)
C7 .3880(2) -.1432(6) .6933(7)
C8 .4153(2) -.1462(5) .5766(7)
C9 .40950(10)
-.0774(4) .4330(6)
C10 .31640(10)
 .0409(4) .0594(6)
C11 .2912(2) .0959(6) -.0436(8)
C12 .2656(2) .0222(7) -.1229(10)
C13 .2652(2) -.1082(7) -.1036(9)
C14 .2900(2) -.1628(6) .0012(8)
C15 .31590(10)
 -.0907(5) .0814(7)
C16 .43160(10)
 .0447(5) .0295(6)
N17 .45980(10)
 .1462(3) .0419(5)
C18 .44450(10)
 .2711(5) .0882(7)
C19 .47510(10)
 .3643(5) .1231(6)
O20 .49800(10)
 .3230(3) .2536(5)
H1 .4560(10)
   -.099(4) .278(5)
H5 .3280(10)
   .036(4) .503(6)
H6 .3390(10)
   -.084(6) .727(8)
H7 .3880(10)
   -.179(5) .796(7)
H8 .4400(10)
   -.200(6) .584(7)
H11 .292(2) .178(7) -.072(8)
H12 .249(2) .059(7) -.191(9)
H13 .252(2) -.161(6) -.175(8)
H14 .293(2) -.245(6) .008(8)
H15 .334(2) -.119(6) .144(7)
H161 .4140(10)
 .072(4) -.049(5)
H162 .4470(10)
 -.026(6) -.014(8)
H17 .4810(10)
.132(5) .129(7)
H181 .4270(10)
 .308(4) .000(6)
H182 .427(2) .261(6) .174(7)
H191 .4660(10)
 .453(5) .146(6)
H192 .4920(10)
 .373(5) .021(7)
H20 .488(2) .333(7) .335(9)