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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/5/00/01/5000172.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_5000172
loop_
_publ_author_name
'Bracher, B. H.'
'Small, R. W. H.'
_publ_section_title
;
 The crystal structure of ethyl carbamate
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica'
_journal_page_first              410
_journal_page_last               418
_journal_paper_doi               10.1107/S0365110X67002877
_journal_volume                  23
_journal_year                    1967
_chemical_formula_sum            'C3 H7 N O2'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                102.47(3)
_cell_angle_beta                 102.58(3)
_cell_angle_gamma                77.68(3)
_cell_formula_units_Z            2
_cell_length_a                   5.023(1)
_cell_length_b                   7.044(2)
_cell_length_c                   7.763(2)
_cod_original_formula_sum        'C3 H7 N1 O2'
_cod_database_code               5000172
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C -0.14311 -0.20908 0.36409
C2 C -0.22885 -0.40228 0.27468
C3 C 0.00198 -0.71733 0.15368
H1 H -0.32400 -0.09400 0.41700
H2 H -0.04100 -0.20000 0.50000
H3 H -0.12400 -0.13400 0.25000
H4 H -0.25800 -0.46700 0.39000
H5 H -0.37500 -0.40000 0.14600
H6 H 0.41700 -0.78400 0.15800
H7 H 0.24600 -0.96700 0.05000
N1 N 0.24284 -0.83343 0.12427
O1 O 0.02662 -0.53576 0.23633
O2 O -0.21885 -0.77484 0.10746
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.20
N 0.68
O 0.68
