data_0-TOPOS_SAMPYM01_neb;4/6/o1;sqc182
_database_code_CSD                  SAMPYM01
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        neb;4/6/o1;sqc182
_chemical_name_systematic
;
2-Sulfanilamido-5-methoxypyrimidine. 
;
_chemical_formula_sum               Sc0
_citation_journal_abbrev            CRYST.STRUCT.COMMUN.
_citation_year                      1977
_citation_journal_volume            6
_citation_page_first                263
_citation_special_details
;
Experiment details: iii polymorphantibacterial agent. Experiment deta
ils: The study was carried out at room temperature,in the range 283-3
03K. File: search24.cif. 
CENTAT: none
SIMPLIG: Sc=C11H12N4O3S| 
;
loop_
_publ_author_name
'Guiseppetti G.'
'Tadini C.'
'Bettinetti G.P.'
'Giordano F.'
_cell_length_a                      13.37
_cell_length_b                      11.735
_cell_length_c                      15.928
_cell_angle_alpha                   90
_cell_angle_beta                    97.9
_cell_angle_gamma                   90
_cell_volume                        2475.337
_cell_formula_units_Z               8
_symmetry_space_group_name_H-M      'C 2/c'
_symmetry_Int_Tables_number         15
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,y,1/2-z
3 -x,-y,-z
4 x,-y,1/2+z
5 1/2+x,1/2+y,z
6 1/2-x,1/2+y,1/2-z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,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
Sc1 Sc 8 0.22691 0.50630 0.42576 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
Sc1 Sc1 8.1919 1 0 0 0 6 0 -1 0 v 8
Sc1 Sc1 6.1877 1 0 0 0 7 0 1 1 v 4
Sc1 Sc1 6.8100 1 0 0 0 3 0 1 1 v 4
#End of data_0-TOPOS_SAMPYM01_neb;4/6/o1;sqc182