data_2011919
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2001
_journal_volume  57
_journal_page_first  423
_journal_page_last  424
_publ_section_title
;
L-Prolinium tartrate
;
loop_
_publ_author_name
  'Subha Nandhini, M.'
  'Krishnakumar, R.V.'
  'Natarajan, S.'
_chemical_name_common  'L-prolinium tartrate'
_chemical_formula_moiety  'C5 H10 N O2 + , C4 H5 O6 -'
_chemical_formula_sum  'C9 H15 N O8'
_chemical_formula_iupac  'C5 H10 N O2 + , C4 H5 O6 -'
_chemical_formula_weight  267.24
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y+1/2, -z'
_cell_length_a  5.0070(10)
_cell_length_b  17.676(3)
_cell_length_c  6.5230(10)
_cell_angle_alpha  90
_cell_angle_beta  100.40(2)
_cell_angle_gamma  90
_cell_volume  567.8(2)
_cell_formula_units_Z  2
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.551
_exptl_crystal_density_meas  1.55
_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
  O1  .8186(4)  .47409(14)  .7398(4)  .0494(6) Uani d . 1 . . O
  H1  .9601  .4948  .7945  .074 Uiso calc R 1 . . H
  O2 1.0870(4)  .37594(16)  .7105(4)  .0626(8) Uani d . 1 . . O
  O3  .9331(3)  .60674(11)  .4467(3)  .0341(4) Uani d . 1 . . O
  H11 1.0595  .6186  .5395  .051 Uiso calc R 1 . . H
  O4  .7627(3)  .71715(10)  .5289(3)  .0313(4) Uani d . 1 . . O
  O5  .3369(3)  .70372(10)  .2185(3)  .0293(4) Uani d . 1 . . O
  H13  .1876  .6900  .1563  .044 Uiso calc R 1 . . H
  O6  .7794(3)  .67500(11)  -.0068(3)  .0323(5) Uani d . 1 . . O
  H15  .7437  .6800  -.1338  .048 Uiso calc R 1 . . H
  O7  .3422(4)  .63018(12)  -.2814(3)  .0364(5) Uani d . 1 . . O
  O8  .2251(4)  .54422(12)  -.0614(3)  .0412(5) Uani d . 1 . . O
  N1  .7154(4)  .30306(13)  .4339(3)  .0333(5) Uani d . 1 . . N
  H9  .8876  .2911  .4906  .040 Uiso calc R 1 . . H
  H10  .6082  .2636  .4513  .040 Uiso calc R 1 . . H
  C1  .8727(5)  .40807(17)  .6720(4)  .0335(6) Uani d . 1 . . C
  C2  .6270(5)  .37223(16)  .5379(4)  .0320(6) Uani d . 1 . . C
  H2  .4946  .3580  .6249  .038 Uiso calc R 1 . . H
  C3  .4903(7)  .4213(2)  .3576(5)  .0559(9) Uani d . 1 . . C
  H3  .2993  .4087  .3182  .067 Uiso calc R 1 A 1 H
  H4  .5075  .4745  .3933  .067 Uiso calc R 1 A 1 H
  C4  .6384(12)  .4030(3)  .1897(8)  .0509(17) Uani d P  .711(13) B 1 C
  H5  .8067  .4314  .2060  .061 Uiso calc PR  .711(13) B 1 H
  H6  .5295  .4150  .0551  .061 Uiso calc PR  .711(13) B 1 H
  C4'  .468(3)  .3750(7)  .1615(17)  .049(4) Uani d P  .289(13) B 2 C
  H5'  .2944  .3490  .1313  .059 Uiso calc PR  .289(13) B 2 H
  H6'  .4868  .4067  .0436  .059 Uiso calc PR  .289(13) B 2 H
  C5  .6948(8)  .3199(2)  .2070(5)  .0480(8) Uani d . 1 . . C
  H7  .8632  .3078  .1607  .058 Uiso calc R 1 C 1 H
  H8  .5484  .2913  .1244  .058 Uiso calc R 1 C 1 H
  C6  .7511(5)  .65955(14)  .4242(3)  .0240(5) Uani d . 1 . . C
  C7  .5137(4)  .64074(14)  .2524(3)  .0231(5) Uani d . 1 . . C
  H12  .4142  .5982  .2990  .028 Uiso calc R 1 . . H
  C8  .6173(5)  .61642(14)  .0548(3)  .0245(5) Uani d . 1 . . C
  H14  .7310  .5714  .0875  .029 Uiso calc R 1 . . H
  C9  .3727(5)  .59527(14)  -.1118(4)  .0261(5) Uani d . 1 . . C
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
  O1  .0382(10)  .0446(14)  .0639(15)  -.0046(10)  .0054(10)  -.0201(11)
  O2  .0307(10)  .0664(17)  .0847(19)  .0062(11)  -.0059(11)  -.0291(15)
  O3  .0312(9)  .0383(11)  .0273(9)  .0072(8)  -.0098(7)  -.0052(8)
  O4  .0313(8)  .0329(11)  .0273(9)  -.0030(7)  -.0009(7)  -.0081(7)
  O5  .0254(8)  .0306(10)  .0291(9)  .0044(7)  -.0024(7)  -.0028(7)
  O6  .0281(8)  .0440(11)  .0233(8)  -.0089(8)  .0008(6)  .0010(8)
  O7  .0311(9)  .0501(13)  .0242(10)  -.0035(8)  -.0056(7)  .0033(8)
  O8  .0445(11)  .0392(12)  .0359(11)  -.0141(9)  -.0034(8)  -.0027(8)
  N1  .0336(10)  .0260(13)  .0394(12)  -.0031(9)  .0041(9)  .0015(9)
  C1  .0279(12)  .0396(16)  .0343(14)  -.0026(11)  .0091(10)  -.0029(12)
  C2  .0271(11)  .0308(15)  .0377(15)  .0014(11)  .0048(10)  -.0014(11)
  C3  .0598(18)  .041(2)  .059(2)  .0145(15)  -.0113(15)  -.0005(15)
  C4  .057(4)  .046(3)  .044(3)  -.006(3)  -.006(2)  .017(2)
  C4'  .063(9)  .036(7)  .039(7)  -.006(6)  -.016(5)  .004(5)
  C5  .060(2)  .047(2)  .0356(16)  -.0045(15)  .0050(14)  -.0038(13)
  C6  .0247(10)  .0272(14)  .0192(11)  -.0030(9)  .0017(8)  .0021(9)
  C7  .0224(10)  .0254(12)  .0198(12)  -.0016(9)  -.0004(8)  -.0006(9)
  C8  .0241(10)  .0257(13)  .0216(12)  .0008(9)  -.0013(9)  -.0017(9)
  C9  .0246(11)  .0269(14)  .0250(13)  .0001(10)  .0002(9)  -.0061(10)
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
  O1 C1 . 1.294(4) ?
  O1 H1 .  .8200 ?
  O2 C1 . 1.200(4) ?
  O3 C6 . 1.294(3) ?
  O3 H11 .  .8200 ?
  O4 C6 . 1.221(3) ?
  O5 C7 . 1.415(3) ?
  O5 H13 .  .8200 ?
  O6 C8 . 1.418(3) ?
  O6 H15 .  .8200 ?
  O7 C9 . 1.252(3) ?
  O8 C9 . 1.248(3) ?
  N1 C5 . 1.495(4) ?
  N1 C2 . 1.503(3) ?
  N1 H9 .  .9000 ?
  N1 H10 .  .9000 ?
  C1 C2 . 1.513(4) ?
  C2 C3 . 1.521(4) ?
  C2 H2 .  .9800 ?
  C3 C4 . 1.465(6) ?
  C3 C4' . 1.505(12) ?
  C3 H3 .  .9700 ?
  C3 H4 .  .9700 ?
  C4 C5 . 1.495(6) ?
  C4 H5 .  .9700 ?
  C4 H6 .  .9700 ?
  C4' C5 . 1.484(13) ?
  C4' H5' .  .9700 ?
  C4' H6' .  .9700 ?
  C5 H7 .  .9700 ?
  C5 H8 .  .9700 ?
  C6 C7 . 1.516(3) ?
  C7 C8 . 1.535(3) ?
  C7 H12 .  .9800 ?
  C8 C9 . 1.530(3) ?
  C8 H14 .  .9800 ?