#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005308.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_2005308
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume                 C52
_journal_page_first             2049
_journal_page_last              2051
_publ_section_title
;
        2,2,6,6-Tetramethylpiperidinium Chloride
;
_chemical_formula_iupac        'C9 H20 N + , Cl -'
_chemical_formula_sum          'C9 H20 Cl N'
_chemical_formula_weight        177.71
_symmetry_cell_setting          Orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
        'x, y, z'
        '-x+1/2, -y, z+1/2'
        '-x, y+1/2, -z+1/2'
        'x+1/2, -y+1/2, -z'
_symmetry_space_group_name_H-M  'P 21 21 21'
_cell_length_a                  8.754(2)
_cell_length_b                  8.910(1)
_cell_length_c                  12.992(2)
_cell_angle_alpha               90
_cell_angle_beta                90
_cell_angle_gamma               90
_cell_volume                    1013.3(3)
_cell_formula_units_Z           4
_exptl_crystal_density_diffrn   1.165
_cell_measurement_temperature   158(2)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cl      1       .17837(8)
                        .33654(8)
                                .29046(6)
                                        .0282(2)
N1      1       .1617(3)
                        -0.3194(3)
                                .2327(2)
                                        .0190(5)
H1A     1       .159(3) -0.419(3)
                                .247(2) .023
H1B     1       .060(3) -0.294(3)
                                .224(2) .023
C2      1       .2266(3)
                        -0.2289(3)
                                .3212(2)
                                        .0217(7)
C3      1       .2281(3)
                        -.0645(3)
                                .2877(3)
                                        .0263(8)
H3A     1       .1216(3)
                        -.0275(3)
                                .2836(3)
                                        .032
H3B     1       .2820(3)
                        -.0043(3)
                                .3405(3)
                                        .032
C4      1       .3057(4)
                        -.0411(3)
                                .1839(2)
                                        .0297(8)
H4A     1       .3015(4)
                        .0665(3)
                                .1650(2)
                                        .036
H4B     1       .4145(4)
                        -.0709(3)
                                .1888(2)
                                        .036
C5      1       .2272(3)
                        -0.1338(3)
                                .1015(2)
                                        .0259(7)
H5A     1       .2796(3)
                        -0.1167(3)
                                .0350(2)
                                        .031
H5B     1       .1205(3)
                        -.0985(3)
                                .0942(2)
                                        .031
C6      1       .2258(3)
                        -0.3021(3)
                                .1242(2)
                                        .0230(7)
C7      1       .3834(4)
                        -0.2848(4)
                                .3519(2)
                                        .0309(8)
H7A     1       .4550(4)
                        -0.2687(4)
                                .2950(2)
                                        .046
H7B     1       .3780(4)
                        -0.3921(4)
                                .3678(2)
                                        .046
H7C     1       .4186(4)
                        -0.2297(4)
                                .4127(2)
                                        .046
C8      1       .1162(4)
                        -0.2539(4)
                                .4101(2)
                                        .0321(8)
H8A     1       .0145(4)
                        -0.2177(4)
                                .3907(2)
                                        .048
H8B     1       .1521(4)
                        -0.1989(4)
                                .4708(2)
                                        .048
H8C     1       .1110(4)
                        -0.3613(4)
                                .4261(2)
                                        .048
C9      1       .3831(3)
                        -0.3753(3)
                                .1154(2)
                                        .0297(8)
H9A     1       .4553(3)
                        -0.3230(3)
                                .1606(2)
                                        .045
H9B     1       .4188(3)
                        -0.3690(3)
                                .0440(2)
                                        .045
H9C     1       .3761(3)
                        -0.4809(3)
                                .1360(2)
                                        .045
C10     1       .1157(4)
                        -0.3827(4)
                                .0543(2)
                                        .0313(8)
H10A    1       .0146(4)
                        -0.3361(4)
                                .0596(2)
                                        .047
H10B    1       .1090(4)
                        -0.4884(4)
                                .0747(2)
                                        .047
H10C    1       .1519(4)
                        -0.3760(4)
                                -.0170(2)
                                        .047