data_0-TOPOS_MEDLUE_2M4-1
_database_code_CSD                  MEDLUE
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        2M4-1
_chemical_name_systematic
;
2-(Dimethylamino)acetic acid. 
;
_chemical_formula_sum               Sc0
_citation_journal_abbrev            'ACTA CRYSTALLOGR.,SECT.C:CRYST.STRUCT.COMMUN.'
_citation_year                      2012
_citation_journal_volume            68
_citation_page_first                o283
_citation_special_details
;
File: search24.cif. 
CENTAT: none
SIMPLIG: Sc=C4H9NO2| 
;
loop_
_publ_author_name
'Minkov V.S.'
'Boldyreva E.V.'
_cell_length_a                      11.2228
_cell_length_b                      10.0097
_cell_length_c                      18.7285
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        2103.901
_cell_formula_units_Z               16
_symmetry_space_group_name_H-M      'P b c a'
_symmetry_Int_Tables_number         61
_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,-y,1/2+z
3 1/2+x,1/2-y,-z
4 -x,1/2+y,1/2-z
5 -x,-y,-z
6 1/2+x,y,1/2-z
7 1/2-x,1/2+y,z
8 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 8 0.20326 0.50520 0.31036 1.0000
Sc1 Sc 8 0.08263 0.67416 0.55441 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 5.0580 1 0 0 0 1 0 0 0 v 8
Sc2 Sc1 4.4646 1 0 0 0 5 0 1 1 v 8
#End of data_0-TOPOS_MEDLUE_2M4-1