data_2010493
_journal_name_full  'Acta Crystallographica'
_journal_year  1995
_journal_volume  C51
_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~
;
loop_
_publ_author_name
  'Bhar, Abdenbi'
  'Aune, Jean Pierre'
  'Benali-Cherif, Nourredine'
  'Benmenni, Leila'
  'Giorgi, Michel'
_chemical_formula_sum  'C6 H2 Cl3 N1 O2'
_chemical_formula_weight  226.45
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_cell_length_a  7.842(2)
_cell_length_b  14.450(5)
_cell_length_c  7.548(2)
_cell_angle_alpha  101.08(2)
_cell_angle_beta  98.10(2)
_cell_angle_gamma  84.38(3)
_cell_volume  828.9(4)
_cell_formula_units_Z  4
_cell_measurement_temperature  293
_exptl_crystal_density_diffrn  1.814
_refine_ls_R_factor_obs  0.06
_refine_ls_wR_factor_obs  0.08
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
  Cl(3) .8492(2) .36020(10)
  .4305(3)
  Cl(4) .4752(3) .29840(10)
  .3036(3)
  Cl(5) .1909(2) .4417(2) .1544(3)
  Cl(9) .7766(3) .08780(10)
  1.3222(3)
  Cl(10) .6209(2) .08350(10)
  .9153(3)
  Cl(11) .7077(3) -.09450(10)
  .6217(3)
  O(1) .5460(7) .7279(3) .1707(9)
  O(2) .7993(7) .7007(3) .3050(8)
  O(3) 1.1517(7) -.2271(3) 1.2822(7)
  O(4) 1.1042(8) -.3073(4) 1.0117(9)
  N(1) .6551(8) .6783(3) .2451(8)
  N(2) 1.0824(7) -.2372(3) 1.1279(8)
  C(1) .6082(8) .5840(4) .2571(9)
  C(2) .7370(8) .5239(4) .3271(9)
  C(3) .6911(8) .4348(4) .3388(9)
  C(4) .5262(8) .4084(4) .2868(9)
  C(5) .4000(8) .4733(5) .2211(9)
  C(6) .4393(9) .5622(4) .2075(9)
  C(7) .9633(8) -.1597(4) 1.0742(9)
  C(8) .9297(8) -.0853(4) 1.2041(9)
  C(9) .8189(8) -.0076(4) 1.1570(10)
  C(10) .7502(8) -.0101(4) .9754(9)
  C(11) .7897(8) -.0876(4) .8491(9)
  C(12) .8969(8) -.1657(4) .8944(9)
  H(2) .8530 .5426 .3649
  H(6) .3532 .6067 .1631
  H(8) .9807 -.0853 1.3274
  H(12) .9224 -.2212 .8021
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
  Cl(3) C(3) 1.721(6) yes
  Cl(4) C(4) 1.709(7) yes
  Cl(5) C(5) 1.725(6) yes
  Cl(9) C(9) 1.711(6) yes
  Cl(10) C(10) 1.704(6) yes
  Cl(11) C(11) 1.734(7) yes
  O(1) N(1) 1.210(8) yes
  O(2) N(1) 1.212(8) yes
  O(3) N(2) 1.202(7) yes
  O(4) N(2) 1.221(7) yes
  N(1) C(1) 1.468(8) yes
  N(2) C(7) 1.468(8) yes
  C(1) C(2) 1.381(8) yes
  C(1) C(6) 1.375(9) yes
  C(2) C(3) 1.392(9) yes
  C(3) C(4) 1.366(9) yes
  C(4) C(5) 1.401(9) yes
  C(5) C(6) 1.380(10)
  yes
  C(7) C(8) 1.342(8) yes
  C(7) C(12) 1.373(9) yes
  C(8) C(9) 1.420(9) yes
  C(9) C(10) 1.400(10)
  yes
  C(10) C(11) 1.366(8) yes
  C(11) C(12) 1.406(9) yes