#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2200511.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_2200511
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2001
_journal_volume  57
_journal_page_first  o886
_journal_page_last  o887
_publ_section_title
;
(7-endo-Bromocamphorylsulfonyl)imine
;
loop_
_publ_author_name
  'Fronczek, Frank R.'
  'Garcia, J. Gabriel'
_chemical_name_common
;
7-\b-bromo-(-)-camphorsulfonimide
;
_chemical_formula_moiety  'C10 H14 Br N O2 S'
_chemical_formula_sum  'C10 H14 Br N O2 S'
_chemical_formula_iupac  'C10 H14 Br N O2 S'
_chemical_formula_weight  292.19
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P 21 21 21'
_symmetry_space_group_name_Hall  ' P 2ac 2ab'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, -y, z+1/2'
  'x+1/2, -y+1/2, -z'
  '-x, y+1/2, -z+1/2'
_cell_length_a  7.2643(4)
_cell_length_b  10.6393(6)
_cell_length_c  15.6331(13)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  1208.24(14)
_cell_formula_units_Z  4
_cell_measurement_temperature  296
_exptl_crystal_density_diffrn  1.606
_diffrn_ambient_temperature  296
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
  Br  .59132(12)  .63333(8)  .01579(5)  .1019(3) Uani d . 1 . . Br
  S  .53225(19)  .45051(10)  .30589(7)  .0622(3) Uani d . 1 . . S
  O1  .6825(7)  .3659(4)  .2999(3)  .0865(12) Uani d . 1 . . O
  O2  .5099(10)  .5173(5)  .3830(3)  .1043(17) Uani d . 1 . . O
  N  .5533(5)  .5566(3)  .2262(2)  .0523(8) Uani d . 1 . . N
  C1  .3829(7)  .5989(4)  .0899(3)  .0557(10) Uani d . 1 . . C
  H1  .3270  .6792  .1064  .067 Uiso calc R 1 . . H
  C2  .4345(5)  .5295(3)  .1694(2)  .0462(8) Uani d . 1 . . C
  C3  .3080(6)  .4175(4)  .1775(3)  .0559(10) Uani d . 1 . . C
  C4  .3776(9)  .3256(4)  .1077(4)  .0745(15) Uani d . 1 . . C
  H4A  .5101  .3151  .1108  .089 Uiso calc R 1 . . H
  H4B  .3193  .2439  .1131  .089 Uiso calc R 1 . . H
  C5  .3207(12)  .3906(5)  .0238(4)  .0860(18) Uani d . 1 . . C
  H5A  .4272  .4062  -.0121  .103 Uiso calc R 1 . . H
  H5B  .2332  .3397  -.0077  .103 Uiso calc R 1 . . H
  C6  .2327(8)  .5144(4)  .0527(3)  .0667(13) Uani d . 1 . . C
  H6  .1540  .5548  .0098  .080 Uiso calc R 1 . . H
  C7  .3199(8)  .3770(5)  .2696(4)  .0685(12) Uani d . 1 . . C
  H7A  .3266  .2862  .2744  .082 Uiso calc R 1 . . H
  H7B  .2150  .4071  .3021  .082 Uiso calc R 1 . . H
  C8  .1301(6)  .4733(4)  .1372(4)  .0654(12) Uani d . 1 . . C
  C9  .0480(7)  .5805(5)  .1894(5)  .0823(17) Uani d . 1 . . C
  H9A  -.0494  .6195  .1575  .123 Uiso calc R 1 . . H
  H9B  .1419  .6415  .2015  .123 Uiso calc R 1 . . H
  H9C  -.0001  .5480  .2422  .123 Uiso calc R 1 . . H
  C10  -.0240(10)  .3749(6)  .1239(6)  .105(3) Uani d . 1 . . C
  H10A  .0293  .2969  .1056  .157 Uiso calc R 1 . . H
  H10B  -.1084  .4045  .0812  .157 Uiso calc R 1 . . H
  H10C  -.0886  .3623  .1768  .157 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
  Br  .1102(6)  .1140(6)  .0815(5)  .0030(4)  .0237(4)  .0414(4)
  S  .0850(7)  .0506(5)  .0511(5)  -.0087(5)  -.0022(5)  .0113(4)
  O1  .086(2)  .072(2)  .101(3)  .006(2)  -.017(2)  .030(2)
  O2  .169(5)  .092(3)  .0521(19)  -.031(3)  .011(3)  -.0027(19)
  N  .0623(19)  .0404(14)  .0540(18)  -.0051(15)  .0009(15)  .0081(13)
  C1  .066(2)  .0450(18)  .057(2)  .0077(17)  -.0018(19)  .0058(17)
  C2  .0517(18)  .0362(14)  .0507(19)  .0042(15)  .0037(16)  .0020(14)
  C3  .060(2)  .0390(18)  .069(3)  -.0045(17)  -.001(2)  -.0031(17)
  C4  .088(3)  .043(2)  .093(4)  .014(2)  -.006(3)  -.015(2)
  C5  .126(5)  .055(3)  .077(3)  .014(3)  -.009(3)  -.027(3)
  C6  .085(3)  .050(2)  .065(3)  .015(2)  -.022(2)  -.014(2)
  C7  .078(3)  .049(2)  .078(3)  -.011(2)  .012(3)  .014(2)
  C8  .055(2)  .0415(18)  .100(4)  -.0058(17)  -.009(2)  -.014(2)
  C9  .055(2)  .063(3)  .129(5)  .006(2)  .004(3)  -.024(3)
  C10  .076(3)  .079(4)  .159(7)  -.020(3)  -.029(4)  -.022(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
  Br C1 . 1.941(5) yes
  S O2 . 1.408(5) yes
  S O1 . 1.418(5) yes
  S N . 1.687(3) yes
  S C7 . 1.820(6) yes
  N C2 . 1.271(6) yes
  C1 C2 . 1.494(6) ?
  C1 C6 . 1.529(7) ?
  C1 H1 .  .9800 ?
  C2 C3 . 1.510(5) ?
  C3 C7 . 1.505(7) ?
  C3 C4 . 1.550(7) ?
  C3 C8 . 1.556(7) ?
  C4 C5 . 1.539(9) ?
  C4 H4A .  .9700 ?
  C4 H4B .  .9700 ?
  C5 C6 . 1.532(7) ?
  C5 H5A .  .9700 ?
  C5 H5B .  .9700 ?
  C6 C8 . 1.578(9) ?
  C6 H6 .  .9800 ?
  C7 H7A .  .9700 ?
  C7 H7B .  .9700 ?
  C8 C9 . 1.524(7) ?
  C8 C10 . 1.547(7) ?
  C9 H9A .  .9600 ?
  C9 H9B .  .9600 ?
  C9 H9C .  .9600 ?
  C10 H10A .  .9600 ?
  C10 H10B .  .9600 ?
  C10 H10C .  .9600 ?
_cod_database_code 2200511