#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2010492.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_2010492
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1995
_journal_volume 51
_journal_page_first  256
_journal_page_last  260
_publ_section_title
;
Three Polychloromononitrobenzenes: C~6~H~3~Cl~2~NO~2~,
  C~6~H~2~Cl~3~NO~2~ and C~6~HCl~4~NO~2~
;
_symmetry_space_group_name_Hall  '-P 2y1'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/m'
loop_
_publ_author_name
  'Bhar, Abdenbi'
  'Aune, Jean Pierre'
  'Benali-Cherif, Nourredine'
  'Benmenni, Leila'
  'Giorgi, Michel'
_chemical_formula_sum            'C6 H3 Cl2 N O2'
_[local]_cod_chemical_formula_sum_orig 'C6 H3 Cl2 N1 O2'
_chemical_formula_weight  192
_symmetry_cell_setting  monoclinic
_cell_length_a  3.873(2)
_cell_length_b  13.687(2)
_cell_length_c  7.013(3)
_cell_angle_alpha  90.
_cell_angle_beta  92.94(6)
_cell_angle_gamma  90.
_cell_volume  371.30(10)
_cell_formula_units_Z  2
_cell_measurement_temperature  293
_exptl_crystal_density_diffrn  1.716
_refine_ls_R_factor_obs  0.046
_refine_ls_wR_factor_obs  0.059
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
  Cl(3) .8704(3) .44558(7) .23270(10)
  O(1) .3460(8) .3268(2) .8587(4)
  N .41000(10)
  .250 .7874(6)
  C(1) .56700(10)
  .250 .5998(6)
  C(2) .6365(9) .3387(2) .5188(5)
  C(3) .7812(8) .3366(2) .3426(5)
  C(4) .85400(10)
  .250 .2539(6)
  H(2) .5827 .4026 .5848
  H(4) .9553 .2500 .1231
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
  Cl(3) C(3) 1.722(3) yes
  N O(1) 1.196(3) yes
  N C(1) 1.478(6) yes
  C(1) C(2) 1.372(4) yes
  C(2) C(3) 1.382(5) yes
  C(3) C(4) 1.375(4) yes
_cod_database_code 2010492