data_0-TOPOS_VARLAD_xfx;5/3/t9;sqc512
_database_code_CSD                  VARLAD
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        xfx;5/3/t9;sqc512
_chemical_name_systematic
;
4'-(4-Bromophenyl)-1'-methyl-2''-thioxo-4''H-dispiro[indole-3,2'-pyrr
olidine-3',5''-[1,3]thiazolidine]-2,4''(1H)-dione. 
;
_chemical_formula_sum               ZA0
_citation_journal_abbrev            J.HETEROCYCL.CHEM.
_citation_year                      2011
_citation_journal_volume            48
_citation_page_first                877
_citation_special_details
;
Experiment details: Melting point range 432-433K. File: search1.cif. 

CENTAT: Sc1
SIMPLIG: ZA=Sc
SIMPPAR: METH=Stand; INTRA=V| 
;
loop_
_publ_author_name
'Hai LIU'
'Yi ZOU'
'Yu HU'
'Da-Qing SHI'
_cell_length_a                      16.952
_cell_length_b                      16.952
_cell_length_c                      14.753
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        4239.574
_cell_formula_units_Z               8
_symmetry_space_group_name_H-M      'I -4'
_symmetry_Int_Tables_number         82
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,z
3 y,-x,-z
4 -y,x,-z
5 1/2+x,1/2+y,1/2+z
6 1/2-x,1/2-y,1/2+z
7 1/2+y,1/2-x,1/2-z
8 1/2-y,1/2+x,1/2-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
ZA1 ZA 8 0.79467 0.48082 0.45194 1.0000
loop_
_topol_link.node_label_1
_topol_link.node_label_2
_topol_link.distance
_topol_link.site_symmetry_symop_1
_topol_link.site_symmetry_translation_1_x
_topol_link.site_symmetry_translation_1_y
_topol_link.site_symmetry_translation_1_z
_topol_link.site_symmetry_symop_2
_topol_link.site_symmetry_translation_2_x
_topol_link.site_symmetry_translation_2_y
_topol_link.site_symmetry_translation_2_z
_topol_link.type
_topol_link.multiplicity
ZA1 ZA1 7.2199 1 0 0 0 4 1 0 1 v 8
ZA1 ZA1 6.9919 1 0 0 0 2 2 1 0 v 4
ZA1 ZA1 7.7424 1 0 0 0 7 0 1 0 v 8
#End of data_0-TOPOS_VARLAD_xfx;5/3/t9;sqc512