##############################################################################
###                                                                        ###
###           Full Paper (Acta Crystallographica Section C)                ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section C. It conforms to the editorial and technical    #
# requirements of Notes for Authors for Section C, and has been peer         #
# reviewed under the auspices of the IUCr Commission on Journals.            #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.0.1.  #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
# cif/home.html                                                              #
#                                                                            #
#            Copyright International Union of Crystallography                #
#                                                                            #
##############################################################################
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
  Anilinium hydrogenphosphite
;
_chemical_name_common     ?
_chemical_formula_moiety     'C6 H8 N +, H2 P O3 -'
_chemical_formula_sum     'C6 H10 N O3 P'
_chemical_formula_weight     175.12
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     P21/a
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x+1/2, y+1/2, -z'
    '-x, -y, -z'
    'x-1/2, -y-1/2, z'
_cell_length_a     6.216(2)
_cell_length_b     14.219(6)
_cell_length_c     9.342(3)
_cell_angle_alpha     90.00
_cell_angle_beta     90.91(3)
_cell_angle_gamma     90.00
_cell_volume     825.6(5)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     25
_cell_measurement_theta_min     9.74
_cell_measurement_theta_max     15.21
_cell_measurement_temperature     293(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     'colourless'
_exptl_crystal_size_max      .34
_exptl_crystal_size_mid      .34
_exptl_crystal_size_min      .34
_exptl_crystal_density_diffrn     1.409
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     368
_exptl_absorpt_coefficient_mu      .292
_exptl_absorpt_correction_type     none
_exptl_absorpt_process_details     ?
_exptl_absorpt_correction_T_min     ?
_exptl_absorpt_correction_T_max     ?
_exptl_special_details
;
  ?
;
_diffrn_ambient_temperature     293(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength      .71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Enraf-Nonius CAD-4 diffractometer'
_diffrn_measurement_method     'profile data from ω-2θ scans'
_diffrn_reflns_number     3607
_diffrn_reflns_av_R_equivalents      .0227
_diffrn_reflns_av_sigmaI/netI      .0234
_diffrn_reflns_theta_min     3.58
_diffrn_reflns_theta_max     25.98
_diffrn_reflns_theta_full     25.98
_diffrn_measured_fraction_theta_max      .998
_diffrn_measured_fraction_theta_full      .998
_diffrn_reflns_limit_h_min     -7
_diffrn_reflns_limit_h_max     7
_diffrn_reflns_limit_k_min     0
_diffrn_reflns_limit_k_max     17
_diffrn_reflns_limit_l_min     -11
_diffrn_reflns_limit_l_max     11
_diffrn_standards_number     3
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     180
_diffrn_standards_decay_%     1
_refine_special_details
;
  Refinement of F² against ALL reflections.  The weighted R-factor wR and
  goodness of fit S are based on F², conventional R-factors R are based
  on F, with F set to zero for negative F². The threshold expression of
  F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
  not relevant to the choice of reflections for refinement.  R-factors based
  on F² are statistically about twice as large as those based on F, and R-
  factors based on ALL data will be even larger.
;
_reflns_number_total     1612
_reflns_number_gt     1221
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all      .0496
_refine_ls_R_factor_gt      .0283
_refine_ls_wR_factor_ref      .0839
_refine_ls_goodness_of_fit_ref     1.048
_refine_ls_restrained_S_all     1.048
_refine_ls_number_reflns     1612
_refine_ls_number_parameters     140
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     refall
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
       'calc w = 1/[σ²(Fo²)+(0.0380P)²+0.3216P] where P=(Fo²+2Fc²)/3'
_refine_ls_shift/su_max     <0.001
_refine_ls_shift/su_mean      .000
_refine_diff_density_max      .252
_refine_diff_density_min      -.252
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 1997)'
_refine_ls_extinction_coef      .015(2)
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'P' 'P'  .1023  .0942
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'C' 'C'  .0033  .0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N'  .0061  .0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O'  .0106  .0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H'  .0000  .0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'CAD-4 software (Enraf-Nonius, 1989)'
_computing_cell_refinement     'CAD-4 software'
_computing_data_reduction     'HELENA (Spek, 1997)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'ORTEPII (Johnson, 1976)'
_computing_publication_material     'SHELXL97'
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
    P1  .03258(8)  .36864(3)  .40048(5)  .03614(17) Uani d . 1 . . P
    H1  -.022(3)  .3043(14)  .491(2)  .048(6) Uiso d . 1 . . H
    O1  .1077(2)  .32294(10)  .26648(14)  .0448(4) Uani d . 1 . . O
    O2  -.1538(2)  .43441(10)  .38316(16)  .0503(4) Uani d . 1 . . O
    O3  .2302(2)  .41784(12)  .47158(17)  .0564(5) Uani d . 1 . . O
    H8  .196(5)  .464(2)  .519(3)  .085 Uiso d . 1 . . H
    C1  .0613(3)  .12860(12)  .04184(18)  .0335(4) Uani d . 1 . . C
    C2  .2505(3)  .09411(16)  -.0102(2)  .0466(5) Uani d . 1 . . C
    H2  .360(4)  .0804(17)  .054(3)  .061(7) Uiso d . 1 . . H
    C3  .2716(4)  .08397(19)  -.1567(3)  .0584(6) Uani d . 1 . . C
    H3  .401(4)  .0613(18)  -.190(3)  .072(8) Uiso d . 1 . . H
    C4  .1064(4)  .10847(18)  -.2485(3)  .0601(6) Uani d . 1 . . C
    H4  .121(4)  .101(2)  -.349(3)  .074(8) Uiso d . 1 . . H
    C5  -.0816(4)  .14348(19)  -.1948(2)  .0607(6) Uani d . 1 . . C
    H5  -.201(5)  .162(2)  -.260(3)  .083(9) Uiso d . 1 . . H
    C6  -.1051(4)  .15338(16)  -.0487(2)  .0482(5) Uani d . 1 . . C
    H6  -.234(4)  .1749(18)  -.012(3)  .060(7) Uiso d . 1 . . H
    N  .0369(3)  .14186(13)  .19561(17)  .0369(4) Uani d . 1 . . N
    H7A  .133(4)  .1060(17)  .253(3)  .055(6) Uiso d . 1 . . H
    H7B  -.097(4)  .1337(17)  .218(3)  .057(7) Uiso d . 1 . . H
    H7C  .071(4)  .2033(19)  .222(3)  .060(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
    P1  .0381(3)  .0390(3)  .0314(2)  .0007(2)  .00316(17)  -.0048(2)
    O1  .0461(8)  .0472(8)  .0411(8)  -.0013(6)  .0051(6)  -.0141(6)
    O2  .0365(7)  .0567(9)  .0575(9)  .0059(6)  -.0077(6)  -.0239(7)
    O3  .0450(9)  .0612(10)  .0624(10)  .0150(7)  -.0171(7)  -.0274(8)
    C1  .0377(9)  .0282(8)  .0347(9)  -.0031(8)  .0006(7)  -.0051(7)
    C2  .0418(11)  .0513(12)  .0465(11)  .0052(10)  -.0007(9)  -.0069(9)
    C3  .0546(14)  .0668(16)  .0543(13)  .0054(12)  .0150(11)  -.0135(11)
    C4  .0786(17)  .0638(15)  .0381(11)  -.0033(13)  .0048(11)  -.0094(10)
    C5  .0679(15)  .0716(16)  .0422(12)  .0084(13)  -.0133(11)  -.0042(11)
    C6  .0454(12)  .0560(13)  .0432(11)  .0093(10)  -.0039(9)  -.0065(9)
    N  .0355(9)  .0404(9)  .0349(8)  -.0003(7)  -.0002(7)  -.0034(7)
_geom_special_details
;
  All esds (except the esd in the dihedral angle between two l.s. planes)
  are estimated using the full covariance matrix.  The cell esds are taken
  into account individually in the estimation of esds in distances, angles
  and torsion angles; correlations between esds in cell parameters are only
  used when they are defined by crystal symmetry.  An approximate (isotropic)
  treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
    P1 O1 . 1.4919(14) yes
    P1 O2 . 1.4954(15) yes
    P1 O3 . 1.5538(16) yes
    P1 H1 . 1.29(2) yes
    O3 H8 .  .82(3) ?
    C1 C2 . 1.370(3) ?
    C1 C6 . 1.371(3) ?
    C1 N . 1.459(2) ?
    C2 C3 . 1.385(3) ?
    C2 H2 .  .92(2) ?
    C3 C4 . 1.372(4) ?
    C3 H3 .  .92(3) ?
    C4 C5 . 1.373(4) ?
    C4 H4 .  .95(3) ?
    C5 C6 . 1.382(3) ?
    C5 H5 .  .99(3) ?
    C6 H6 .  .93(3) ?
    N H7A .  .94(3) ?
    N H7B .  .87(3) ?
    N H7C .  .93(3) ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    O1 P1 O2 . . 115.70(8) yes
    O1 P1 O3 . . 107.40(9) yes
    O2 P1 O3 . . 111.75(9) yes
    O1 P1 H1 . . 109.0(9) ?
    O2 P1 H1 . . 107.7(9) ?
    O3 P1 H1 . . 104.6(9) ?
    P1 O3 H8 . . 112(2) ?
    C2 C1 C6 . . 121.09(18) ?
    C2 C1 N . . 119.90(17) ?
    C6 C1 N . . 118.99(17) ?
    C1 C2 C3 . . 118.9(2) ?
    C1 C2 H2 . . 118.2(15) ?
    C3 C2 H2 . . 122.9(15) ?
    C4 C3 C2 . . 120.6(2) ?
    C4 C3 H3 . . 121.5(17) ?
    C2 C3 H3 . . 117.9(17) ?
    C3 C4 C5 . . 119.8(2) ?
    C3 C4 H4 . . 120.4(16) ?
    C5 C4 H4 . . 119.8(16) ?
    C4 C5 C6 . . 120.1(2) ?
    C4 C5 H5 . . 120.7(17) ?
    C6 C5 H5 . . 119.2(17) ?
    C1 C6 C5 . . 119.5(2) ?
    C1 C6 H6 . . 120.0(15) ?
    C5 C6 H6 . . 120.5(15) ?
    C1 N H7A . . 114.5(14) ?
    C1 N H7B . . 109.7(16) ?
    H7A N H7B . . 113(2) ?
    C1 N H7C . . 110.7(15) ?
    H7A N H7C . . 103(2) ?
    H7B N H7C . . 106(2) ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    C6 C1 C2 C3 . . . .  -.4(3) ?
    N C1 C2 C3 . . . . -178.7(2) yes
    C1 C2 C3 C4 . . . .  .3(4) ?
    C2 C3 C4 C5 . . . .  .1(4) ?
    C3 C4 C5 C6 . . . .  -.5(4) ?
    C2 C1 C6 C5 . . . .  .0(3) ?
    N C1 C6 C5 . . . . 178.3(2) yes
    C4 C5 C6 C1 . . . .  .5(4) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    O3 H8 O2 3_566  .82(3) 1.74(3) 2.550(2) 173(3)
    N H7A O2 4_665  .94(3) 1.88(3) 2.799(2) 165(2)
    N H7B O1 4_565  .87(3) 2.00(3) 2.804(2) 154(2)
    N H7C O1 .  .93(3) 1.77(3) 2.693(2) 174(2)
data_II
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
  Anilinium hydrogenoxalate monohydrate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C6 H8 N +, H C2 O4 -, 0.5H2 O'
_chemical_formula_sum     'C8 H10 N O4.5'
_chemical_formula_weight     192.17
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     C2/c
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'
    '-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     23.9825(19)
_cell_length_b     5.7253(14)
_cell_length_c     13.891(2)
_cell_angle_alpha     90.00
_cell_angle_beta     109.340(11)
_cell_angle_gamma     90.00
_cell_volume     1799.7(5)
_cell_formula_units_Z     8
_cell_measurement_reflns_used     25
_cell_measurement_theta_min     11.43
_cell_measurement_theta_max     16.26
_cell_measurement_temperature     293(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     white
_exptl_crystal_size_max      .49
_exptl_crystal_size_mid      .48
_exptl_crystal_size_min      .29
_exptl_crystal_density_diffrn     1.418
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     808
_exptl_absorpt_coefficient_mu      .117
_exptl_absorpt_correction_type     none
_exptl_absorpt_process_details     ?
_exptl_absorpt_correction_T_min     ?
_exptl_absorpt_correction_T_max     ?
_exptl_special_details
;
  ?
;
_diffrn_ambient_temperature     293(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength      .71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Enraf-Nonius CAD-4 diffractometer'
_diffrn_measurement_method     'profile data from ω-2θ scans'
_diffrn_reflns_number     2189
_diffrn_reflns_av_R_equivalents      .0050
_diffrn_reflns_av_sigmaI/netI      .0084
_diffrn_reflns_theta_min     3.03
_diffrn_reflns_theta_max     27.47
_diffrn_reflns_theta_full     27.47
_diffrn_measured_fraction_theta_max      .999
_diffrn_measured_fraction_theta_full      .999
_diffrn_reflns_limit_h_min     0
_diffrn_reflns_limit_h_max     30
_diffrn_reflns_limit_k_min     0
_diffrn_reflns_limit_k_max     7
_diffrn_reflns_limit_l_min     -18
_diffrn_reflns_limit_l_max     17
_diffrn_standards_number     3
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     180
_diffrn_standards_decay_%     1.7
_refine_special_details
;
  Refinement of F² against ALL reflections.  The weighted R-factor wR and
  goodness of fit S are based on F², conventional R-factors R are based
  on F, with F set to zero for negative F². The threshold expression of
  F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
  not relevant to the choice of reflections for refinement.  R-factors based
  on F² are statistically about twice as large as those based on F, and R-
  factors based on ALL data will be even larger.
;
_reflns_number_total     2062
_reflns_number_gt     1735
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all      .0451
_refine_ls_R_factor_gt      .0341
_refine_ls_wR_factor_ref      .1007
_refine_ls_goodness_of_fit_ref     1.054
_refine_ls_restrained_S_all     1.054
_refine_ls_number_reflns     2062
_refine_ls_number_parameters     164
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     refall
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
       'calc w = 1/[σ²(Fo²)+(0.0529P)²+0.8427P] where P=(Fo²+2Fc²)/3'
_refine_ls_shift/su_max     <0.001
_refine_ls_shift/su_mean      .000
_refine_diff_density_max      .305
_refine_diff_density_min      -.161
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 1997)'
_refine_ls_extinction_coef      .0211(14)
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C'  .0033  .0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H'  .0000  .0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N'  .0061  .0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O'  .0106  .0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'CAD-4 software (Enraf-Nonius, 1989)'
_computing_cell_refinement     'CAD-4 software'
_computing_data_reduction     'HELENA (Spek, 1997)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'ORTEPII (Johnson, 1976)'
_computing_publication_material     'SHELXL97'
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  .07951(5)  .24192(19)  .23798(8)  .0370(3) Uani d . 1 . . N
    H1A  .0555(8)  .109(3)  .2298(13)  .059(5) Uiso d . 1 . . H
    H1B  .0739(7)  .300(3)  .1764(13)  .049(4) Uiso d . 1 . . H
    H1C  .0685(8)  .346(3)  .2793(14)  .060(5) Uiso d . 1 . . H
    C1  .14192(5)  .1901(2)  .28895(8)  .0364(3) Uani d . 1 . . C
    C2  .15779(7)  -.0203(3)  .33765(11)  .0508(4) Uani d . 1 . . C
    H2  .1267(9)  -.138(4)  .3347(14)  .071(5) Uiso d . 1 . . H
    C3  .21687(8)  -.0640(4)  .38763(13)  .0672(5) Uani d . 1 . . C
    H3  .2272(10)  -.219(4)  .4185(17)  .084(6) Uiso d . 1 . . H
    C4  .25867(8)  .1007(4)  .38970(13)  .0691(5) Uani d . 1 . . C
    H4  .2986(9)  .073(4)  .4193(15)  .082(6) Uiso d . 1 . . H
    C5  .24243(8)  .3083(4)  .33934(15)  .0664(5) Uani d . 1 . . C
    H5  .2717(10)  .419(4)  .3392(16)  .082(6) Uiso d . 1 . . H
    C6  .18346(7)  .3548(3)  .28811(12)  .0513(4) Uani d . 1 . . C
    H6  .1705(8)  .497(4)  .2534(14)  .064(5) Uiso d . 1 . . H
    O1  .06771(5)  .68721(14)  .53305(7)  .0458(3) Uani d . 1 . . O
    O2  .05456(5)  .53471(16)  .38059(6)  .0467(3) Uani d . 1 . . O
    O3  .08251(5)  .25105(17)  .61327(6)  .0516(3) Uani d . 1 . . O
    O4  .06044(5)  .10789(15)  .45603(7)  .0491(3) Uani d . 1 . . O
    H4A  .0644(9)  -.024(4)  .4854(17)  .075(6) Uiso d . 1 . . H
    C7  .06364(5)  .52080(18)  .47337(8)  .0298(2) Uani d . 1 . . C
    C8  .07027(5)  .27599(18)  .52312(8)  .0298(2) Uani d . 1 . . C
    O5  .0000  .8901(2)  .2500  .0375(3) Uani d S 1 . . O
    H5A  .0159(8)  .793(3)  .3006(13)  .062(5) 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  .0476(6)  .0319(5)  .0335(5)  .0014(4)  .0159(4)  -.0002(4)
    C1  .0469(6)  .0353(6)  .0288(5)  .0029(5)  .0150(5)  -.0023(4)
    C2  .0635(9)  .0417(8)  .0435(7)  .0034(7)  .0127(6)  .0062(6)
    C3  .0753(11)  .0614(10)  .0525(9)  .0187(9)  .0046(8)  .0092(8)
    C4  .0523(9)  .0878(14)  .0563(9)  .0158(9)  .0035(7)  -.0061(9)
    C5  .0517(9)  .0755(12)  .0721(11)  -.0089(9)  .0209(8)  -.0064(9)
    C6  .0546(8)  .0444(8)  .0575(8)  -.0014(6)  .0220(7)  .0041(7)
    O1  .0810(7)  .0201(4)  .0366(5)  .0011(4)  .0200(4)  -.0021(3)
    O2  .0838(7)  .0285(4)  .0316(4)  .0133(4)  .0243(4)  .0062(3)
    O3  .0875(7)  .0334(5)  .0283(5)  -.0027(5)  .0117(4)  .0043(3)
    O4  .0934(8)  .0192(4)  .0356(5)  .0014(4)  .0227(5)  -.0006(3)
    C7  .0402(6)  .0202(5)  .0302(5)  .0031(4)  .0133(4)  .0018(4)
    C8  .0394(6)  .0209(5)  .0291(5)  .0006(4)  .0114(4)  .0007(4)
    O5  .0548(7)  .0255(6)  .0291(6)  .000  .0099(5)  .000
_geom_special_details
;
  All esds (except the esd in the dihedral angle between two l.s. planes)
  are estimated using the full covariance matrix.  The cell esds are taken
  into account individually in the estimation of esds in distances, angles
  and torsion angles; correlations between esds in cell parameters are only
  used when they are defined by crystal symmetry.  An approximate (isotropic)
  treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 C1 . 1.4587(16) ?
    N1 H1A .  .939(19) ?
    N1 H1B .  .886(17) ?
    N1 H1C .  .926(19) ?
    C1 C2 . 1.3725(19) ?
    C1 C6 . 1.375(2) ?
    C2 C3 . 1.379(2) ?
    C2 H2 . 1.00(2) ?
    C3 C4 . 1.369(3) ?
    C3 H3 .  .98(2) ?
    C4 C5 . 1.369(3) ?
    C4 H4 .  .92(2) ?
    C5 C6 . 1.382(2) ?
    C5 H5 .  .95(2) ?
    C6 H6 .  .94(2) ?
    O1 C7 . 1.2453(14) yes
    O2 C7 . 1.2365(14) yes
    O3 C8 . 1.1963(14) yes
    O4 C8 . 1.3057(14) yes
    O4 H4A .  .85(2) ?
    C7 C8 . 1.5475(15) yes
    O5 H5A .  .877(18) ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    C1 N1 H1A . . 112.4(11) ?
    C1 N1 H1B . . 110.5(10) ?
    H1A N1 H1B . . 107.4(15) ?
    C1 N1 H1C . . 106.7(11) ?
    H1A N1 H1C . . 108.2(15) ?
    H1B N1 H1C . . 111.7(15) ?
    C2 C1 C6 . . 121.53(13) ?
    C2 C1 N1 . . 119.35(12) ?
    C6 C1 N1 . . 119.11(12) ?
    C1 C2 C3 . . 118.58(16) ?
    C1 C2 H2 . . 119.5(12) ?
    C3 C2 H2 . . 121.9(12) ?
    C4 C3 C2 . . 120.58(17) ?
    C4 C3 H3 . . 122.5(13) ?
    C2 C3 H3 . . 116.9(13) ?
    C5 C4 C3 . . 120.32(16) ?
    C5 C4 H4 . . 117.0(15) ?
    C3 C4 H4 . . 122.5(15) ?
    C4 C5 C6 . . 119.99(17) ?
    C4 C5 H5 . . 119.8(14) ?
    C6 C5 H5 . . 120.2(14) ?
    C1 C6 C5 . . 118.96(16) ?
    C1 C6 H6 . . 118.5(11) ?
    C5 C6 H6 . . 122.5(11) ?
    C8 O4 H4A . . 110.4(15) ?
    O2 C7 O1 . . 126.34(10) ?
    O2 C7 C8 . . 118.71(9) ?
    O1 C7 C8 . . 114.95(9) ?
    O3 C8 O4 . . 125.65(11) ?
    O3 C8 C7 . . 121.93(10) ?
    O4 C8 C7 . . 112.41(9) ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    C6 C1 C2 C3 . . . .  .8(2) ?
    N1 C1 C2 C3 . . . . -178.38(13) yes
    C1 C2 C3 C4 . . . .  .9(3) ?
    C2 C3 C4 C5 . . . . -2.1(3) ?
    C3 C4 C5 C6 . . . . 1.5(3) ?
    C2 C1 C6 C5 . . . . -1.3(2) ?
    N1 C1 C6 C5 . . . . 177.89(13) ?
    C4 C5 C6 C1 . . . .  .1(3) ?
    O2 C7 C8 O3 . . . . 175.55(12) ?
    O1 C7 C8 O3 . . . . -5.00(17) yes
    O2 C7 C8 O4 . . . . -5.16(15) yes
    O1 C7 C8 O4 . . . . 174.29(11) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    N1 H1A O5 1_545  .939(19) 1.915(19) 2.8163(15) 160.1(16)
    N1 H1B O1 6_565  .886(17) 1.949(17) 2.7955(15) 159.3(15)
    N1 H1C O2 .  .926(19) 1.89(2) 2.8067(14) 171.2(17)
    O4 H4A O1 1_545  .85(2) 1.77(2) 2.6177(14) 173(2)
    O5 H5A O2 .  .877(18) 1.898(19) 2.7516(13) 163.8(17)
data_global
_journal_date_recd_electronic     2000-03-01
_journal_date_accepted     2000-05-30
_journal_name_full     'Acta Crystallographica, Section C'
_journal_year     2000
_journal_volume     56
_journal_issue      9
_journal_page_first     1132
_journal_page_last     1135
_journal_paper_category     FO
_publ_contact_author_name     'J.A. Paixão'
_publ_contact_author_address
;
      Faculdade Ciencias e Tecnologia
      Departamento de Fisica
      Universidade de Coimbra
      P-3000 Coimbra
      Portugal
;
_publ_contact_author_email     jap@pollux.fis.uc.pt
_publ_contact_author_fax     351-39-829158
_publ_contact_author_phone     351-39-410645
_publ_section_title
;
   Two anilinium salts: anilinium hydrogenphosphite and anilinium
   hydrogenoxalate hemihydrate
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Paixão, J. A.' .
;
      Departamento de Física
      Faculdade de Ciências e Tecnologia
      Universidade de Coimbra
      P-3004-516 Coimbra
      Portugal
;
    'Matos Beja, A.' .
;
      Departamento de Física
      Faculdade de Ciências e Tecnologia
      Universidade de Coimbra
      P-3004-516 Coimbra
      Portugal
;
    'Ramos Silva, M.' .
;
      Departamento de Física
      Faculdade de Ciências e Tecnologia
      Universidade de Coimbra
      P-3004-516 Coimbra
      Portugal
;
    'Martin-Gil, J.' .
;
      Tecnologias del Medio Ambiente
      Universidad de Valladolid
      SP-47011 Valladolid
      Spain
;
