data_0-TOPOS_ITUXIE_sqc187
_database_code_CSD                  ITUXIE
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        sqc187
_chemical_name_systematic
;
4-Hydroxybenzaldehyde (4-nitrophenyl)hydrazone. 
;
_chemical_formula_sum               Sc0
_citation_journal_abbrev            Kristallografiya(Russ.)(Crystallogr.Rep.)
_citation_year                      2003
_citation_journal_volume            48
_citation_page_first                645
_citation_special_details
;
File: search24.cif. 
CENTAT: none
SIMPLIG: Sc=C13H11N3O3| 
;
loop_
_publ_author_name
'Kuleshova L.N.'
'Antipin M.YU.'
'Khrustalev V.N.'
'Gusev D.V.'
'Grintselev-Knyaz G.V'
'Bobrikova E.S.'
_cell_length_a                      18.193
_cell_length_b                      6.8949
_cell_length_c                      19.387
_cell_angle_alpha                   90
_cell_angle_beta                    108.088
_cell_angle_gamma                   90
_cell_volume                        2311.702
_cell_formula_units_Z               8
_symmetry_space_group_name_H-M      'P 21/n'
_symmetry_Int_Tables_number         14
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2+y,1/2-z
3 -x,-y,-z
4 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
Sc2 Sc 4 0.53374 0.26936 0.96220 1.0000
Sc1 Sc 4 0.06732 0.78900 0.93800 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
Sc2 Sc1 8.9847 1 0 0 0 1 0 -1 0 v 4
Sc2 Sc2 15.2163 1 0 0 0 4 -1 0 0 v 4
Sc2 Sc1 9.5516 1 0 0 0 4 0 1 0 v 4
Sc1 Sc1 15.2234 1 0 0 0 4 -1 1 0 v 4
#End of data_0-TOPOS_ITUXIE_sqc187