#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2010222.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_2010222
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1994
_journal_volume 50
_journal_page_first  1801
_journal_page_last  1802
_publ_section_title
;
3,4-Dihydrobenzo[e]-2,4,4-trimethyl-1,2-selenazin-3-one
;
loop_
_publ_author_name
  'Dupont, L.'
  'Jacquemin, P.'
_chemical_formula_moiety  'C11 H13 N1 O1 Se1'
_chemical_formula_sum  'C11 H13 N1 O1 Se1'
_chemical_formula_weight  254.19
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'
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  8.4100(10)
_cell_length_b  13.7620(10)
_cell_length_c  9.5300(10)
_cell_angle_alpha  90.
_cell_angle_beta  105.57(11)
_cell_angle_gamma  90.
_cell_volume  1062.50(10)
_cell_formula_units_Z  4
_cell_measurement_temperature  290
_exptl_crystal_density_diffrn  1.588
_refine_ls_R_factor_obs  0.075
_refine_ls_wR_factor_obs  0.070
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
  C1 -.0272(6) .3096(4) .1274(6)
  C2 -.1914(8) .2790(5) .0879(7)
  C3 -.3060(7) .3295(5) .1444(6)
  C4 -.2556(7) .4053(5) .2368(6)
  C5 -.0932(6) .4363(4) .2733(6)
  C6 .0246(6) .3902(4) .2168(5)
  C7 .2050(6) .4268(4) .2503(5)
  C8 .2393(3) .4722(5) .1128(7)
  C9 .2448(8) .5027(5) .3712(7)
  C10 .3214(7) .3386(4) .2995(6)
  C11 .4083(8) .1732(5) .2662(7)
  N1 .3040(7) .2607(3) .2153(6)
  O1 .4333(5) .3414(3) .4176(4)
  Se1 .12610(10)
  .23980(10)
  .05370(10)
  H2 -.2298 .2178 .0157
  H3 -.4342 .3080 .1141
  H4 -.3437 .4421 .2825
  H5 -.0566 .4970 .3466
  H81 .2195 .4121 .0372
  H82 .3669 .4946 .1382
  H83 .1610 .5322 .0644
  H91 .2197 .4737 .4684
  H92 .1683 .5658 .3351
  H93 .3732 .5232 .3946
  H111 .4639 .1437 .1856
  H112 .3454 .1161 .3075
  H113 .5030 .2041 .3547
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  C2 C1 . . 1.395(9) yes
  C6 C1 . . 1.396(8) yes
  Se1 C1 . . 1.888(5) yes
  C3 C2 . . 1.408(9) yes
  C4 C3 . . 1.358(8) yes
  C5 C4 . . 1.399(8) yes
  C7 C6 . . 1.548(7) yes
  C8 C7 . . 1.547(8) yes
  C9 C7 . . 1.523(8) yes
  C10 C7 . . 1.552(7) yes
  N1 C10 . . 1.323(7) yes
  O1 C10 . . 1.259(6) yes
  N1 C11 . . 1.491(7) yes
  Se1 N1 . . 1.859(5) yes