data_2012822
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2002
_journal_volume  58
_journal_page_first  o416
_journal_page_last  o420
_publ_section_title
;
A comparative study of intermolecular interactions in the crystal structures
of phenyl/phenyl end-capped oligoanilines
;
loop_
_publ_author_name
  'Gawlicka-Chruszcz, Anna'
  'Stadnicka, Katarzyna'
_chemical_formula_moiety  'C18 H16 N2'
_chemical_formula_sum  'C18 H16 N2'
_chemical_formula_weight  260.33
_symmetry_cell_setting  Orthorhombic
_symmetry_space_group_name_H-M  'P b c a'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, -y, z+1/2'
  '-x, y+1/2, -z+1/2'
  'x+1/2, -y+1/2, -z'
  '-x, -y, -z'
  'x-1/2, y, -z-1/2'
  'x, -y-1/2, z-1/2'
  '-x-1/2, y-1/2, z'
_cell_length_a  25.678(4)
_cell_length_b  7.4815(13)
_cell_length_c  6.9588(12)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  1336.9(4)
_cell_formula_units_Z  4
_cell_measurement_temperature  295(2)
_exptl_crystal_density_diffrn  1.293
_diffrn_ambient_temperature  295(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  N1 0.55620(8) 0.4452(3) 0.1576(3) 0.0509(6) Uani d . 1 . . N
  C1 0.60827(9) 0.4780(3) 0.1085(3) 0.0405(6) Uani d . 1 . . C
  C2 0.63875(10) 0.6114(4) 0.1871(3) 0.0456(6) Uani d . 1 . . C
  C3 0.68990(10) 0.6322(4) 0.1263(4) 0.0522(7) Uani d . 1 . . C
  C4 0.71117(10) 0.5234(4) -0.0113(4) 0.0567(8) Uani d . 1 . . C
  C5 0.67998(11) 0.3961(4) -0.0962(4) 0.0564(8) Uani d . 1 . . C
  C6 0.62949(11) 0.3733(4) -0.0374(4) 0.0506(7) Uani d . 1 . . C
  C7 0.52980(9) 0.4772(3) 0.3319(3) 0.0390(6) Uani d . 1 . . C
  C8 0.47676(9) 0.4446(4) 0.3342(3) 0.0424(6) Uani d . 1 . . C
  C9 0.55274(9) 0.5347(4) 0.5006(3) 0.0461(6) Uani d . 1 . . C
  H1 0.5385(10) 0.366(4) 0.083(4) 0.052(8) Uiso d . 1 . . H
  H2 0.6248(10) 0.699(4) 0.269(4) 0.059(8) Uiso d . 1 . . H
  H3 0.7108(9) 0.724(4) 0.183(4) 0.052(7) Uiso d . 1 . . H
  H4 0.7480(12) 0.537(4) -0.048(4) 0.062(8) Uiso d . 1 . . H
  H5 0.6917(11) 0.314(4) -0.198(5) 0.083(10) Uiso d . 1 . . H
  H6 0.6091(10) 0.292(4) -0.092(4) 0.063(9) Uiso d . 1 . . H
  H8 0.4617(8) 0.409(3) 0.223(3) 0.038(6) Uiso d . 1 . . H
  H9 0.5901(10) 0.560(4) 0.512(4) 0.063(8) 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
  N1 0.0440(12) 0.0741(16) 0.0345(11) -0.0116(11) 0.0032(9) -0.0149(11)
  C1 0.0396(13) 0.0514(14) 0.0303(11) 0.0049(11) 0.0003(10) 0.0049(11)
  C2 0.0478(15) 0.0531(16) 0.0358(13) 0.0012(12) 0.0017(11) -0.0037(12)
  C3 0.0480(15) 0.0648(18) 0.0438(15) -0.0076(14) -0.0033(12) 0.0012(13)
  C4 0.0434(14) 0.078(2) 0.0491(16) 0.0015(14) 0.0059(13) 0.0058(15)
  C5 0.0559(17) 0.0675(19) 0.0458(15) 0.0054(14) 0.0108(13) -0.0066(14)
  C6 0.0541(16) 0.0580(17) 0.0396(14) -0.0055(13) 0.0032(12) -0.0084(13)
  C7 0.0418(13) 0.0434(13) 0.0319(11) 0.0006(10) 0.0018(10) -0.0005(11)
  C8 0.0434(14) 0.0525(15) 0.0313(12) -0.0047(11) -0.0048(10) -0.0041(12)
  C9 0.0360(13) 0.0652(17) 0.0372(12) -0.0059(12) -0.0033(11) -0.0033(12)
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
  N1 C1 . 1.402(3) yes
  N1 C7 . 1.410(3) yes
  N1 H1 . 0.91(3) no
  C1 C2 . 1.381(3) yes
  C1 C6 . 1.393(3) yes
  C2 C3 . 1.389(4) yes
  C2 H2 . 0.94(3) no
  C3 C4 . 1.370(4) yes
  C3 H3 . 0.96(3) no
  C4 C5 . 1.377(4) yes
  C4 H4 . 0.99(3) no
  C5 C6 . 1.370(4) yes
  C5 H5 . 0.98(3) no
  C6 H6 . 0.89(3) no
  C7 C8 . 1.384(3) yes
  C7 C9 . 1.382(3) yes
  C8 C9 5_666 1.386(3) yes
  C8 H8 . 0.90(2) no
  C9 C8 5_666 1.386(3) no
  C9 H9 . 0.98(3) no