data_2200207
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2001
_journal_volume  57
_journal_page_first  o218
_journal_page_last  o219
_publ_section_title
;
5-Chloro-6-nitroso-2-norbornene dimer as a motif for supramolecular assembly
;
loop_
_publ_author_name
  'Milovac, Srdjan'
  "\<Simuni\'c-Me\<znari\'c, Vesna"
  "Van\<cik, Hrvoj"
  "Vi\<snjevac, Aleksandar"
  "Koji\'c-Prodi\'c, Biserka"
_chemical_formula_moiety  'C14 H16 Cl2 N2 O2'
_chemical_formula_sum  'C14 H16 Cl2 N2 O2'
_chemical_formula_iupac  'C14 H16 Cl2 N2 O2'
_chemical_formula_weight  315.19
_symmetry_cell_setting  Monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
  1/2-x,1/2+y,1/2-z
  -x,-y,-z
  1/2+x,1/2-y,1/2+z
_cell_length_a  5.9247(7)
_cell_length_b  13.5925(11)
_cell_length_c  8.3407(7)
_cell_angle_alpha  90.00
_cell_angle_beta  95.452(8)
_cell_angle_gamma  90.00
_cell_volume  668.7(7)
_cell_formula_units_Z  2
_cell_measurement_temperature  100(5)
_exptl_crystal_density_diffrn  1.565
_diffrn_ambient_temperature  100(5)
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_occupancy
_atom_site_type_symbol
  Cl1  .07717(8)  .54022(4)  .29490(7)  .0200(2) Uani 1.000 Cl
  O2  .3945(2)  .39708(10)  .58190(10)  .0185(4) Uani 1.000 O
  N3  .4637(3)  .45571(11)  .47899(10)  .0142(4) Uani 1.000 N
  C4  .5147(3)  .30110(15)  .1130(2)  .0206(6) Uani 1.000 C
  C5  .2828(3)  .47482(14)  .1910(2)  .0144(5) Uani 1.000 C
  C6  .1749(3)  .38287(15)  .1062(2)  .0176(5) Uani 1.000 C
  C7  .4425(3)  .31681(14)  .2817(2)  .0176(5) Uani 1.000 C
  C8  .4774(3)  .42849(14)  .3083(2)  .0144(5) Uani 1.000 C
  C9  .3574(3)  .34093(15)  .0093(2)  .0195(6) Uani 1.000 C
  C10  .1834(3)  .30986(15)  .2465(2)  .0181(5) Uani 1.000 C
  H1  .652(5)  .275(2)  .090(3)  .036(7) Uiso 1.000 H
  H2  .345(3)  .5219(14)  .121(2)  .004(4) Uiso 1.000 H
  H3  .030(4)  .3962(16)  .048(3)  .020(6) Uiso 1.000 H
  H4  .511(4)  .2745(16)  .364(2)  .014(5) Uiso 1.000 H
  H5  .616(4)  .4480(15)  .282(2)  .013(5) Uiso 1.000 H
  H6  .358(4)  .3484(17)  -.103(3)  .022(6) Uiso 1.000 H
  H7  .138(4)  .2416(17)  .216(3)  .016(5) Uiso 1.000 H
  H8  .105(4)  .3324(15)  .336(2)  .012(5) Uiso 1.000 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
  Cl1  .0176(2)  .0217(3)  .0205(3)  .0061(2)  .0000(2)  -.0011(2)
  O2  .0218(7)  .0170(7)  .0167(7)  -.0029(6)  .0012(5)  .0028(5)
  N3  .0143(7)  .0135(7)  .0142(7)  .0001(6)  -.0021(6)  -.0005(6)
  C4  .0213(10)  .0174(10)  .0234(10)  -.0005(8)  .0037(8)  -.0074(8)
  C5  .0150(8)  .0147(9)  .0137(9)  .0013(7)  .0018(7)  .0010(7)
  C6  .0169(9)  .0209(10)  .0142(9)  -.0022(8)  -.0020(7)  -.0014(8)
  C7  .0216(10)  .0138(9)  .0167(9)  .0029(8)  -.0025(7)  -.0012(8)
  C8  .0133(8)  .0158(9)  .0138(9)  -.0002(7)  -.0007(7)  -.0020(7)
  C9  .0244(10)  .0178(10)  .0165(10)  -.0062(8)  .0034(8)  -.0049(8)
  C10  .0215(9)  .0164(10)  .0165(9)  -.0046(8)  .0022(8)  -.0021(8)
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
  Cl1 C5 . . 1.796(2) yes
  O2 N3 . . 1.268(2) yes
  N3 C8 . . 1.481(2) yes
  N3 N3 . 3_666 1.315(2) yes
  C4 C7 . . 1.524(3) no
  C4 C9 . . 1.325(3) no
  C5 C6 . . 1.544(3) no
  C5 C8 . . 1.571(3) no
  C6 C9 . . 1.522(3) no
  C6 C10 . . 1.531(3) no
  C7 C8 . . 1.545(3) no
  C7 C10 . . 1.538(3) no
  C4 H1 . .  .92(3) no
  C5 H2 . .  .963(18) no
  C6 H3 . .  .96(2) no
  C7 H4 . .  .96(2) no
  C8 H5 . .  .91(2) no
  C9 H6 . .  .94(2) no
  C10 H7 . .  .99(2) no
  C10 H8 . .  .97(2) no