data_2004838
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume    'C52'
_journal_page_first     1296
_journal_page_last     1298
_publ_section_title
;
(9S,9aR)-1,3,4,6,7,8,9,9a-Octahydro-2H-quinolizine-1-spiro-2'-
(1',3'-dithiane)-9-carbonitrile
;
_chemical_formula_moiety     'C13 H20 N2 S2 '
_chemical_formula_sum     'C13 H20 N2 S2 '
_chemical_formula_weight     268.43
_symmetry_cell_setting    'orthorhombic'
loop_
_symmetry_equiv_pos_as_xyz
'   +x,   +y,   +z'
'1/2-x,   -y,1/2+z'
'1/2+x,1/2-y,   -z'
'   -x,1/2+y,1/2-z'
_symmetry_space_group_name_H-M     'P 21 21 21 '
_cell_length_a     8.3660(10)
_cell_length_b     23.193(2)
_cell_length_c     6.8540(10)
_cell_angle_alpha     90
_cell_angle_beta     90
_cell_angle_gamma     90
_cell_volume     1330.0(3)
_cell_formula_units_Z     4
_exptl_crystal_density_diffrn     1.340
_cell_measurement_temperature     294.2
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
S1  -.02476(9) -0.37730(4) -0.53020(10)
                                       .0452(2)
S2 -0.11465(10) -0.29252(3) -0.84650(10)
                                        .0472(2)
N1  .3801(3) -0.37230(10)
                        -0.5487(4)  .0549(8)
N2  .1125(3) -0.44508(9) -0.9235(3)  .0348(6)
C1  .3046(3) -0.36310(10)
                        -0.6839(4)  .0376(8)
C2  .2303(3) -0.34890(10)
                        -0.8729(4)  .0344(7)
C3  .3569(3) -0.36080(10)
                       -01.0302(4)  .0429(8)
C4  .3908(4) -0.42480(10)
                       -01.0397(5)  .0466(9)
C5  .2366(4) -0.45760(10)
                       -01.0713(5)  .0458(9)
C6  -.0271(4) -0.47970(10)
                         -0.9767(5)  .0458(9)
C7 -0.1671(4) -0.46940(10)
                         -0.8436(5)  .0482(9)
C8 -0.2133(3) -0.40650(10)
                         -0.8471(5)  .0401(8)
C9  -.0713(3) -0.36820(10)
                         -0.7904(4)  .0318(7)
C10  .0768(3) -0.38320(10)
                         -0.9180(4)  .0311(7)
C11 -0.2047(4) -0.3484(2) -0.4201(5)  .0550(10)
C12 -0.2412(4) -0.2867(2) -0.4690(6)  .0630(10)
C13 -0.2799(4) -0.27720(10)
                          -0.6827(6)  .0540(10)
H1  .2052 -0.3087 -0.8758  .0434
H2  .4516 -0.3404
                 -01.0029  .0516
H3  .3170 -0.3493
                 -01.1556  .0516
H4  .4392 -0.4378 -0.9172  .0561
H5  .4678 -0.4339
                 -01.1404  .0561
H6  .2573 -0.4991
                 -01.0727  .0562
H7  .1961 -0.4482
                 -01.1994  .0562
H8 -0.0032 -0.5198 -0.9818  .0574
H9 -0.0631 -0.4690
                  -01.1094  .0574
H10 -0.1375 -0.4806 -0.7136  .0575
H11 -0.2572 -0.4943 -0.8802  .0575
H12 -0.3048 -0.3998 -0.7617  .0495
H13 -0.2523 -0.3967 -0.9785  .0495
H14  .0475 -0.3737
                  -01.0520  .0382
H15 -0.1976 -0.3545 -0.2787  .0655
H16 -0.2950 -0.3733 -0.4605  .0655
H17 -0.1498 -0.2641 -0.4344  .0758
H18 -0.3293 -0.2734 -0.3875  .0758
H19 -0.3158 -0.2380 -0.7046  .0657
H20 -0.3708 -0.3017 -0.7193  .0657