#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2012249.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_2012249
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2001
_journal_volume  57
_journal_page_first  1149
_journal_page_last  1150
_publ_section_title
;
Glycine sodium nitrate
;
loop_
_publ_author_name
  'Krishnakumar, R. V.'
  'Nandhini, M. Subha'
  'Natarajan, S.'
  'Sivakumar, K.'
  'Varghese, Babu'
_chemical_formula_moiety  'C2 H5 N O2 , Na N O3'
_chemical_formula_sum  'C2 H5 N2 Na O5'
_chemical_formula_iupac  '[Na N O3] , C2 H5 N O2'
_chemical_formula_weight  160.07
_symmetry_cell_setting  Monoclinic
_symmetry_space_group_name_H-M  'C c'
_symmetry_space_group_name_Hall  'C -2yc'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  'x, -y, z+1/2'
  'x+1/2, y+1/2, z'
  'x+1/2, -y+1/2, z+1/2'
_cell_length_a  14.329(3)
_cell_length_b  5.2662(11)
_cell_length_c  9.1129(18)
_cell_angle_alpha  90
_cell_angle_beta  119.10(3)
_cell_angle_gamma  90
_cell_volume  600.9(2)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.769
_exptl_crystal_density_meas  1.76
_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
  Na1  .02620(10)  .7440(2)  .34703(14)  .0350(4) Uani d . 1 . . Na
  O1  .21304(19)  .6855(4)  .4361(3)  .0443(6) Uani d . 1 . . O
  O2  .34212(17)  .7003(5)  .7013(3)  .0395(6) Uani d . 1 . . O
  O3  .0158(3)  .4537(5)  .5714(3)  .0587(7) Uani d . 1 . . O
  O4  .0420(2)  .2460(5)  .3923(3)  .0479(7) Uani d . 1 . . O
  O5  .0408(2)  .0492(5)  .5980(3)  .0523(7) Uani d . 1 . . O
  N1  .24303(19)  .1973(5)  .3921(3)  .0311(6) Uani d . 1 . . N
  H1A  .2575  .0325  .3947  .047 Uiso calc R 1 . . H
  H1B  .2590  .2758  .3207  .047 Uiso calc R 1 . . H
  H1C  .1739  .2176  .3586  .047 Uiso calc R 1 . . H
  N2  .0333(2)  .2482(4)  .5213(3)  .0295(6) Uani d . 1 . . N
  C1  .2859(2)  .5888(5)  .5655(4)  .0279(5) Uani d . 1 . . C
  C2  .3073(2)  .3068(6)  .5620(4)  .0348(7) Uani d . 1 . . C
  H2A  .3825  .2813  .5988  .042 Uiso calc R 1 . . H
  H2B  .2906  .2185  .6398  .042 Uiso calc R 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
  Na1  .0296(6)  .0342(8)  .0378(7)  .0027(4)  .0138(5)  .0032(5)
  O1  .0341(11)  .0235(9)  .0528(14)  .0020(10)  .0035(10)  .0012(10)
  O2  .0347(12)  .0390(11)  .0446(13)  -.0061(9)  .0191(11)  -.0153(10)
  O3  .087(2)  .0381(12)  .0571(14)  .0179(14)  .0401(15)  -.0030(12)
  O4  .0459(14)  .068(2)  .0383(13)  -.0073(10)  .0274(12)  -.0057(9)
  O5  .0681(16)  .0323(11)  .0491(13)  -.0029(12)  .0226(12)  .0128(11)
  N1  .0336(12)  .0218(9)  .0398(14)  -.0017(9)  .0194(11)  -.0047(10)
  N2  .0330(13)  .0261(13)  .0293(11)  .0010(10)  .0150(10)  .0005(8)
  C1  .0259(11)  .0224(12)  .0375(12)  -.0026(11)  .0171(10)  -.0026(12)
  C2  .0378(16)  .0223(12)  .0349(15)  -.0007(12)  .0104(13)  -.0011(13)
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
  Na1 O1 . 2.410(3) y
  Na1 O2 4_464 2.324(3) y
  Na1 O3 . 2.615(3) y
  Na1 O3 2_564 2.655(3) y
  Na1 O4 . 2.647(3) y
  Na1 O4 1_565 2.669(3) y
  Na1 O5 1_565 2.719(3) y
  Na1 O5 2_564 2.615(3) y
  Na1 N2 2_564 3.019(3) ?
  Na1 N2 . 3.032(3) ?
  O1 C1 . 1.242(4) ?
  O2 C1 . 1.247(4) ?
  O2 Na1 4_565 2.324(3) ?
  O3 N2 . 1.247(3) ?
  O3 Na1 2_565 2.655(3) ?
  O4 N2 . 1.241(4) ?
  O4 Na1 1_545 2.669(3) ?
  O5 N2 . 1.235(4) ?
  O5 Na1 2_565 2.615(3) ?
  O5 Na1 1_545 2.719(3) ?
  N1 C2 . 1.480(4) ?
  N1 H1A .  .8900 ?
  N1 H1B .  .8900 ?
  N1 H1C .  .8900 ?
  N2 Na1 2_565 3.019(3) ?
  C1 C2 . 1.520(4) ?
  C2 H2A .  .9700 ?
  C2 H2B .  .9700 ?