#------------------------------------------------------------------------------
#$Date: 2016-10-17 13:36:48 +0200 (lun 17 de oct de 2016) $
#$Revision: 187364 $
#$URL: svn://www.crystallography.net/cod/cif/5/00/01/5000167.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_5000167
loop_
_publ_author_name
'Isakov, I. V.'
_publ_section_title
;
 Crystal structure of acrylamide
;
_journal_issue                   6
_journal_name_full               'Journal of Structural Chemistry'
_journal_page_first              836
_journal_page_last               837
_journal_paper_doi               10.1007/BF00761167
_journal_volume                  7
_journal_year                    1967
_chemical_formula_sum            'C3 H5 N O'
_chemical_name_systematic        Acrylamide
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 118.57(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.408(3)
_cell_length_b                   5.792(4)
_cell_length_c                   9.777(3)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C3 H5 N1 O1'
_cod_database_code               5000167
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,-1/2-y,-1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_attached_hydrogens
C1 C 0.14800 0.35200 0.37600 2
C2 C 0.22000 0.49200 0.48800 1
C3 C 0.32700 0.75000 0.48200 0
N1 N 0.39400 0.87000 0.60600 2
O1 O 0.35000 0.75000 0.37100 0
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
N 0.68
O 0.68
