data_2010332
_journal_name_full  'Acta Crystallographica'
_journal_year  1994
_journal_volume  C50
_journal_page_first  2058
_journal_page_last  2060
_publ_section_title
;
Redetermination of the structure of N-Carbamyl-dl-aspartic Acid
;
loop_
_publ_author_name
  'Zvargulis, Evan S.'
  'Hambley, Trevor W.'
_chemical_formula_moiety  'C5 H8 N2 O5'
_chemical_formula_sum  'C5 H8 N2 O5'
_chemical_formula_weight  176.13
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
_symmetry_space_group_name_Hall  '-P 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
_cell_length_a  6.443(2)
_cell_length_b  7.476(2)
_cell_length_c  8.058(3)
_cell_angle_alpha  72.27(2)
_cell_angle_beta  80.82(3)
_cell_angle_gamma  76.23(2)
_cell_volume  357.50(10)
_cell_formula_units_Z  2
_cell_measurement_temperature  294
_exptl_crystal_density_diffrn  1.635
_refine_ls_R_factor_obs  0.030
_refine_ls_wR_factor_obs  0.043
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
  C(1) .3036(2) .3502(2) .2914(2)
  C(2) .3155(2) .5610(2) .2333(2)
  C(3) .1632(2) .6782(2) .0922(2)
  C(4) -.0667(2) .6786(2) .1626(2)
  C(5) .3043(2) .7979(2) .3887(2)
  O(1) .3615(2) .2707(2) .16240(10)
  O(2) .2490(2) .26730(10)
  .44010(10)
  O(3) -.1363(2) .53340(10)
  .23390(10)
  O(4) -.1865(2) .8513(2) .1405(2)
  O(5) .3954(2) .90050(10)
  .25710(10)
  N(1) .2684(2) .6299(2) .3871(2)
  N(2) .2402(2) .8508(2) .5364(2)
  H(2) .462(2) .568(2) .186(2)
  H(3A) .186(2) .806(2) .046(2)
  H(3B) .188(2) .619(2) -.005(2)
  HO(1) .360(3) .146(3) .201(3)
  HO(4) -.315(3) .841(3) .184(3)
  HN(1) .225(3) .559(3) .476(2)
  HN(2A) .161(3) .787(3) .618(3)
  HN(2B) .246(3) .965(3) .529(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  C(2) C(1) . . 1.518(2) yes
  O(2) C(1) . . 1.208(2) yes
  N(1) C(2) . . 1.446(2) yes
  O(3) C(4) . . 1.217(2) yes
  O(5) C(5) . . 1.257(2) yes
  N(2) C(5) . . 1.340(2) yes
  O(1) C(1) . . 1.312(2) yes
  C(3) C(2) . . 1.537(2) yes
  C(4) C(3) . . 1.499(2) yes
  O(4) C(4) . . 1.313(2) yes
  N(1) C(5) . . 1.334(2) yes