#------------------------------------------------------------------------------
#$Date: 2025-08-19 21:00:13 +0200 (Tue 19 de Aug de 2025) $
#$Revision: 301809 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/08/2310829.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2310829
loop_
_publ_author_name
'Trueblood, K. N.'
'Mayer, S. W.'
_publ_section_title
;
 The crystal structure of sulfamide
;
_journal_coden_ASTM              ACCRA9
_journal_issue                   8
_journal_name_full               'Acta Crystallographica'
_journal_page_first              628
_journal_page_last               634
_journal_paper_doi               10.1107/s0365110x5600173x
_journal_volume                  9
_journal_year                    1956
_chemical_formula_sum            'H4 N2 O2 S'
_chemical_name_systematic        'S O2 (N H2)2'
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.14
_cell_length_b                   16.85
_cell_length_c                   4.58
_cell_volume                     705.361
_cod_data_source_file            Trueblood_ACCRA9_1956_284.cif
_cod_data_source_block           H4N2O2S1
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-11-23
;
_cod_original_cell_volume        705.3613
_cod_original_formula_sum        'H4 N2 O2 S1'
_cod_database_code               2310829
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x+1/4,y+1/4,z+1/4
x+3/4,-y+3/4,z+1/4
x,y+1/2,z+1/2
-x,-y+1/2,z+1/2
-x+1/4,y+3/4,z+3/4
x+3/4,-y+5/4,z+3/4
x+1/2,y,z+1/2
-x+1/2,-y,z+1/2
-x+3/4,y+1/4,z+3/4
x+5/4,-y+3/4,z+3/4
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
-x+3/4,y+3/4,z+1/4
x+5/4,-y+5/4,z+1/4
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_attached_hydrogens
S1 S+6 0 0 0 1 0.0 0
O1 O-2 0.8844 0.0339 0.1533 1 0.0 0
N1 N-3 0.0697 0.0691 0.805 1 0.0 2
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 82267
