#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2006655.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_2006655
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1997
_journal_volume 53
_journal_page_first  1725
_journal_page_last  1726
_publ_section_title
;
(+)-Camphorsulfonylimine
;
loop_
_publ_author_name
  'Arindam Chakraborty'
  'Jayanta Kumar Ray'
  'Kandasamy Chinnakali'
  'Ibrahim Abdul Razak'
  'Hoong-Kun Fun'
_chemical_formula_sum  'C10 H15 N O2 S'
_chemical_formula_weight  213.29
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21'
_symmetry_space_group_name_Hall  'P 2y1'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y+1/2, -z'
_cell_length_a  7.7208(9)
_cell_length_b  7.7501(9)
_cell_length_c  9.0531(10)
_cell_angle_alpha  90.00
_cell_angle_beta  94.818(10)
_cell_angle_gamma  90.00
_cell_volume  539.79(11)
_cell_formula_units_Z  2
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.312
_diffrn_ambient_temperature  293(2)
_refine_ls_R_factor_obs  .0397
_refine_ls_wR_factor_obs  .0895
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
  S  .78773(8)  .59430(11)  .90238(6)  .0470(2) Uani d . 1 . S
  O1  .8040(4)  .7526(3)  .8238(3)  .0717(7) Uani d . 1 . O
  O2  .8173(4)  .4378(3)  .8244(3)  .0653(7) Uani d . 1 . O
  N  .5884(2)  .5840(5)  .9622(2)  .0533(5) Uani d . 1 . N
  C1  .6028(3)  .6068(5) 1.1019(2)  .0451(5) Uani d . 1 . C
  C2  .4694(4)  .5985(8) 1.2131(3)  .0627(6) Uani d . 1 . C
  C3  .5847(4)  .6256(5) 1.3581(3)  .0643(10) Uani d . 1 . C
  C4  .7555(4)  .5325(4) 1.3280(3)  .0555(7) Uani d . 1 . C
  C5  .6364(5)  .8171(5) 1.3622(4)  .0683(9) Uani d . 1 . C
  C6  .7631(5)  .8295(4) 1.2426(4)  .0538(8) Uani d . 1 . C
  C7  .7763(3)  .6408(3) 1.1852(3)  .0429(6) Uani d . 1 . C
  C8  .9114(3)  .5995(6) 1.0803(2)  .0467(5) Uani d . 1 . C
  C9  .9073(6)  .5578(6) 1.4456(4)  .0770(12) Uani d . 1 . C
  C10  .7348(8)  .3396(5) 1.2973(6)  .0759(11) Uani d . 1 . C
  H2A  .402(5)  .681(4)  1.198(3)  .045(10) Uiso d . 1 . H
  H2B  .408(7)  .468(7)  1.197(6)  .112(17) Uiso d . 1 . H
  H3  .530(4)  .597(7)  1.437(3)  .068(8) Uiso d . 1 . H
  H5A  .536(4)  .903(4)  1.342(3)  .055(8) Uiso d . 1 . H
  H5B  .694(4)  .840(5)  1.452(4)  .071(10) Uiso d . 1 . H
  H6A  .731(4)  .903(4)  1.165(3)  .049(8) Uiso d . 1 . H
  H6B  .877(5)  .861(4)  1.278(3)  .055(9) Uiso d . 1 . H
  H8A  .964(6)  .477(6)  1.110(5)  .106(15) Uiso d . 1 . H
  H8B  .983(4)  .678(4)  1.077(3)  .034(8) Uiso d . 1 . H
  H9A  .925(5)  .688(5)  1.488(4)  .066(11) Uiso d . 1 . H
  H9B 1.002(5)  .515(5)  1.410(5)  .081(13) Uiso d . 1 . H
  H9C  .868(7)  .508(6)  1.533(5)  .121(19) Uiso d . 1 . H
  H10A  .843(6)  .286(5)  1.273(5)  .085(13) Uiso d . 1 . H
  H10B  .706(7)  .274(7)  1.393(5)  .131(17) Uiso d . 1 . H
  H10C  .650(5)  .311(5)  1.226(4)  .076(12) 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
  S  .0517(3)  .0470(3)  .0421(3)  .0044(5)  .0032(2)  .0003(4)
  O1  .086(2)  .067(2)  .062(2)  .006(2)  .0060(14)  .0155(13)
  O2  .075(2)  .0600(15)  .061(2)  .0092(14)  .0064(13)  -.0197(13)
  N  .0464(10)  .0578(12)  .0542(10)  .003(2)  -.0053(8)  -.005(2)
  C1  .0396(11)  .0404(13)  .0547(11)  -.0008(15)  .0003(9)  -.002(2)
  C2  .0482(13)  .066(2)  .075(2)  .001(3)  .0137(12)  -.003(3)
  C3  .077(2)  .063(3)  .0558(14)  -.005(2)  .0230(14)  .0010(15)
  C4  .068(2)  .0526(15)  .0458(13)  .0032(12)  .0064(13)  .0056(11)
  C5  .072(2)  .074(2)  .060(2)  .009(2)  .009(2)  -.019(2)
  C6  .055(2)  .044(2)  .061(2)  -.0006(13)  -.002(2)  -.0061(14)
  C7  .0443(13)  .042(2)  .0413(11)  -.0004(9)  -.0002(10)  -.0017(9)
  C8  .0389(11)  .0505(13)  .0501(11)  -.004(2)  -.0010(9)  -.002(2)
  C9  .092(3)  .088(4)  .0482(15)  .010(2)  -.008(2)  .009(2)
  C10  .099(3)  .046(2)  .083(3)  -.002(2)  .011(3)  .012(2)
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
  S O1 . 1.429(3) ?
  S O2 . 1.432(2) ?
  S N . 1.676(2) yes
  S C8 . 1.802(2) yes
  N C1 . 1.272(3) ?
  C1 C2 . 1.501(3) ?
  C1 C7 . 1.504(3) ?
  C2 C3 . 1.538(4) ?
  C3 C5 . 1.536(5) ?
  C3 C4 . 1.547(4) ?
  C4 C10 . 1.526(5) ?
  C4 C9 . 1.529(5) ?
  C4 C7 . 1.561(3) ?
  C5 C6 . 1.522(5) ?
  C6 C7 . 1.558(4) ?
  C7 C8 . 1.503(3) ?