#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2011737.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_2011737
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2001
_journal_volume  57
_journal_page_first  115
_journal_page_last  116
_publ_section_title
;
Glycinium oxalate
;
loop_
_publ_author_name
  'Subha Nandhini, M.'
  'Krishnakumar, R.V.'
  'Natarajan, S.'
_chemical_name_common  'Glycinium oxalate'
_chemical_formula_moiety  'C2 H6 N O2 + , C2 H O4 - '
_chemical_formula_sum  'C4 H7 N O6'
_chemical_formula_weight  165.11
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/c'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x, -y+1/2, z+1/2'
_cell_length_a  10.5807(15)
_cell_length_b  5.650(2)
_cell_length_c  12.093(3)
_cell_angle_alpha  90.00(3)
_cell_angle_beta  113.830(10)
_cell_angle_gamma  90.00(2)
_cell_volume  661.3(3)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.658
_exptl_crystal_density_meas  1.66
_diffrn_ambient_temperature  293(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  N1  -.27816(15)  .2485(3)  .79503(13)  .0355(4) Uani d . 1 . . N
  O1  -.60285(13)  .1930(2)  .54347(12)  .0468(4) Uani d . 1 . . O
  O2  -.50188(13)  .5083(2)  .65663(11)  .0418(4) Uani d . 1 . . O
  O3  -.09956(12)  .0715(2)  .58171(12)  .0378(4) Uani d . 1 . . O
  O4  .11644(11)  .2165(2)  .66801(10)  .0343(3) Uani d . 1 . . O
  O5  -.20401(11)  .49360(19)  .55030(12)  .0396(4) Uani d . 1 . . O
  O6  .00490(11)  .65912(17)  .62212(10)  .0320(3) Uani d . 1 . . O
  C1  -.49894(15)  .3073(3)  .62413(13)  .0301(4) Uani d . 1 . . C
  C2  -.36952(16)  .1594(3)  .67389(14)  .0319(4) Uani d . 1 . . C
  C3  -.00764(15)  .2399(2)  .62010(12)  .0249(4) Uani d . 1 . . C
  C4  -.07662(15)  .4867(2)  .59528(12)  .0247(4) Uani d . 1 . . C
  H1  -.671(3)  .289(5)  .510(3)  .076(8) Uiso d . 1 . . H
  H2  -.320(2)  .174(4)  .6224(18)  .046(5) Uiso d . 1 . . H
  H3  -.390(2)  .006(4)  .6808(17)  .035(5) Uiso d . 1 . . H
  H4  -.261(2)  .407(5)  .797(2)  .058(6) Uiso d . 1 . . H
  H5  -.313(3)  .217(4)  .851(2)  .066(7) Uiso d . 1 . . H
  H6  -.191(2)  .174(4)  .8206(19)  .047(5) Uiso d . 1 . . H
  H7  -.060(2)  -.071(5)  .597(2)  .062(7) Uiso d . 1 . . H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  N1  .0241(8)  .0347(8)  .0426(8)  .0004(6)  .0081(6)  .0036(6)
  O1  .0292(7)  .0396(7)  .0549(8)  .0067(5)  -.0005(6)  -.0092(6)
  O2  .0315(7)  .0369(7)  .0507(7)  .0057(5)  .0102(5)  -.0073(5)
  O3  .0294(7)  .0187(6)  .0606(8)  -.0004(4)  .0132(5)  -.0001(5)
  O4  .0251(7)  .0285(6)  .0442(6)  .0043(4)  .0088(5)  .0028(4)
  O5  .0220(7)  .0272(6)  .0613(8)  .0036(4)  .0083(5)  .0031(5)
  O6  .0270(6)  .0187(6)  .0472(6)  -.0012(4)  .0117(5)  .0004(4)
  C1  .0249(8)  .0315(8)  .0341(7)  .0021(6)  .0121(6)  .0003(6)
  C2  .0249(8)  .0323(9)  .0384(8)  .0034(6)  .0127(7)  .0013(6)
  C3  .0258(9)  .0195(8)  .0292(7)  .0012(5)  .0109(6)  .0018(5)
  C4  .0247(9)  .0206(7)  .0281(7)  .0008(5)  .0098(6)  .0011(5)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  N1 C2 . 1.480(2) ?
  N1 H4 .  .91(3) ?
  N1 H5 .  .90(3) ?
  N1 H6 .  .94(2) ?
  O1 C1 . 1.308(2) ?
  O1 H1 .  .86(3) ?
  O2 C1 . 1.207(2) ?
  O3 C3 . 1.3047(19) ?
  O3 H7 .  .89(3) ?
  O4 C3 . 1.2092(19) ?
  O5 C4 . 1.234(2) ?
  O6 C4 . 1.2540(18) ?
  C1 C2 . 1.506(2) ?
  C2 H2 .  .96(2) ?
  C2 H3 .  .90(2) ?
  C3 C4 . 1.546(2) ?