#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2008963.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_2008963
_journal_name_full  'Acta Crystallographica'
_journal_year  1999
_journal_volume  C55
_publ_section_title
;
Redetermination of tert-butylhydrazine hydrochloride
;
loop_
_publ_author_name
  'Schumann, Herbert'
  'Gottfriedsen, Jochen'
  'Dechert, Sebastian'
_chemical_name_common  'tert-Butylhydrazine hydrochloride'
_chemical_formula_moiety  'C4 H13 N2 1+, Cl 1-'
_chemical_formula_sum  'C4 H13 Cl N2'
_chemical_formula_iupac  'C4 H13 N2 1+, Cl 1-'
_chemical_formula_weight  124.61
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P b c a'
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'
  '-x, -y, -z'
  'x-1/2, y, -z-1/2'
  'x, -y-1/2, z-1/2'
  '-x-1/2, y-1/2, z'
_cell_length_a  9.86150(10)
_cell_length_b  10.6446(2)
_cell_length_c  13.65130(10)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  1433.00(3)
_cell_formula_units_Z  8
_cell_measurement_temperature  173(2)
_exptl_crystal_density_diffrn  1.155
_diffrn_ambient_temperature  173(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
  Cl 0.75018(3) 0.40890(3) 0.78844(2) 0.02416(12) Uani d . 1 . . Cl
  N1 0.51603(10) 0.24245(9) 0.70175(7) 0.0176(2) Uani d . 1 . . N
  H1A 0.5799(16) 0.2870(14) 0.7275(11) 0.025(4) Uiso d . 1 . . H
  H1B 0.4408(15) 0.2911(14) 0.7065(10) 0.022(4) Uiso d . 1 . . H
  N2 0.49815(12) 0.13638(11) 0.76677(8) 0.0236(2) Uani d . 1 . . N
  H2A 0.575(2) 0.0871(15) 0.7625(14) 0.039(5) Uiso d . 1 . . H
  H2B 0.4295(19) 0.0839(15) 0.7420(14) 0.038(5) Uiso d . 1 . . H
  C1 0.67638(13) 0.14655(12) 0.58366(10) 0.0254(3) Uani d . 1 . . C
  H1D 0.6671 0.0666 0.6154 0.080 Uiso calc R 1 . . H
  H1E 0.7484 0.1931 0.6140 0.080 Uiso calc R 1 . . H
  H1F 0.6969 0.1340 0.5156 0.080 Uiso calc R 1 . . H
  C2 0.55586(15) 0.35107(12) 0.54822(10) 0.0278(3) Uani d . 1 . . C
  H2D 0.5717 0.3440 0.4791 0.080 Uiso calc R 1 . . H
  H2E 0.6299 0.3952 0.5782 0.080 Uiso calc R 1 . . H
  H2F 0.4731 0.3964 0.5593 0.080 Uiso calc R 1 . . H
  C3 0.42437(14) 0.14859(12) 0.55029(10) 0.0276(3) Uani d . 1 . . C
  H3A 0.4191 0.0667 0.5795 0.080 Uiso calc R 1 . . H
  H3B 0.4359 0.1402 0.4808 0.080 Uiso calc R 1 . . H
  H3C 0.3423 0.1940 0.5636 0.080 Uiso calc R 1 . . H
  C4 0.54446(12) 0.21954(10) 0.59307(8) 0.0188(2) 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
  Cl 0.01935(18) 0.02054(18) 0.0326(2) 0.00123(10) -0.00438(11) -0.00120(11)
  N1 0.0168(5) 0.0160(5) 0.0200(5) 0.0000(4) 0.0004(4) -0.0004(4)
  N2 0.0257(6) 0.0223(5) 0.0228(5) 0.0001(4) 0.0024(5) 0.0057(4)
  C1 0.0231(6) 0.0282(6) 0.0248(6) 0.0048(5) 0.0037(5) 0.0002(5)
  C2 0.0332(7) 0.0232(6) 0.0269(6) 0.0002(5) 0.0016(5) 0.0060(5)
  C3 0.0285(7) 0.0276(6) 0.0267(6) -0.0018(5) -0.0063(5) -0.0028(5)
  C4 0.0206(6) 0.0184(5) 0.0174(5) 0.0003(4) 0.0005(4) 0.0002(4)
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 N2 . 1.4470(14) yes
  N1 C4 . 1.5295(15) yes
  C1 C4 . 1.5206(17) yes
  C2 C4 . 1.5322(16) yes
  C3 C4 . 1.5212(17) yes