data_2004803
_journal_name_full  'Acta Crystallographica'
_journal_year      1996
_journal_volume    	C52
_journal_page_first    	923
_journal_page_last    	925
_publ_section_title    	
;
2-(2-Aminoph\'enylthio)-2-(2-thi\'enyl)\'ethyl 2-Thi\'enyl C\'etone
;
_chemical_formula_sum    	'C17 H15 N O S3'
_chemical_formula_weight    	345.51
_symmetry_cell_setting    	monoclinic
loop_
_symmetry_equiv_pos_as_xyz
'x,y,z'
'1/2+x,1/2-y,1/2+z'
'-x,-y,-z'
'1/2-x,1/2+y,1/2-z'
_symmetry_space_group_name_H-M    	'P 21/n'
_cell_length_a    	11.513(2)
_cell_length_b    	9.806(3)
_cell_length_c    	14.780(4)
_cell_angle_alpha    	90
_cell_angle_beta    	91.90(2)
_cell_angle_gamma    	90
_cell_volume    	1667.6(8)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	1.376
_exptl_crystal_density_meas    	1.39
_cell_measurement_temperature    	294
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
S 0.3868(1) 0.1679(1) 0.40615(8) 5.36
S1 0.8542(1) 0.3721(2) 0.4710(1) 8.34(4)
S2 0.2887(1) 0.0550(2) 0.6045(1) 8.53(4)
N 0.3638(3) 0.4536(4) 0.3292(3) 7.2(1)
O 0.5987(2) 0.3909(3) 0.4328(2) 6.04(7)
C1 0.5347(3) 0.2342(4) 0.5455(3) 5.13(9)
C2 0.4094(3) 0.2578(4) 0.5127(3) 4.60(9)
C10 0.7455(3) 0.2930(4) 0.5251(3) 4.89(9)
C11 0.7885(4) 0.2159(5) 0.5945(3) 6.4(1)
C12 0.9109(4) 0.2204(6) 0.6033(4) 7.7(1)
C13 0.9560(4) 0.3002(6) 0.5391(4) 7.6(1)
C14 0.6257(3) 0.3141(4) 0.4954(3) 4.88(9)
C20 0.3251(3) 0.2188(4) 0.5833(3) 4.86(9)
C21 0.2746(3) 0.3047(4) 0.6471(3) 4.94(9)
C22 0.2082(4) 0.2344(6) 0.7059(4) 7.9(1)
C23 0.2071(4) 0.1013(6) 0.6935(4) 8.3(1)
C201 0.2597(4) 0.2471(4) 0.3631(3) 5.15(9)
C202 0.2634(4) 0.3801(5) 0.3289(3) 5.5(1)
C203 0.1600(4) 0.4388(6) 0.2946(3) 7.0(1)
C204 0.0585(4) 0.3657(6) 0.2901(3) 7.9(1)
C205 0.0543(4) 0.2342(6) 0.3221(3) 7.7(1)
C206 0.1551(4) 0.1755(5) 0.3590(3) 6.5(1)
H1' 0.358(3) 0.540(4) 0.300(2) 6
H1" 0.428(3) .417(4) 0.342(2) 6
H2 0.400(3) 0.347(4) 0.499(2) 5
H11 0.544(3) 0.263(4) 0.605(2) 6
H12 0.552(3) 0.140(4) 0.558(2) 6
H111 0.745(3) 0.169(4) 0.632(3) 8
H121 0.950(3) 0.166(5) 0.651(3) 9
H131 1.0352 0.3138 0.5010 9
H203 0.162(3) 0.534(4) 0.276(3) 8
H204 -.010(3) 0.435(4) 0.260(3) 9
H205 -.0225 0.1761 0.3156 8
H206 0.152(3) 0.087(4) 0.385(3) 8
H211 0.2889 0.3908 0.6443 6
H221 0.1662 0.2784 0.7518 10
H231 0.175(3) 0.036(5) 0.740(3) 9