data_2011096
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2000
_journal_volume  56
_journal_page_first  874
_journal_page_last  875
_publ_section_title
;
N---H...\p hydrogen bonding in 2-aminofluorene
;
loop_
_publ_author_name
  'Steiner, Thomas'
_chemical_name_common  2-Aminofluorene
_chemical_formula_sum  'C13 H11 N'
_chemical_formula_weight  181.23
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P n a 21'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, z+1/2'
  'x+1/2, -y+1/2, z'
  '-x+1/2, y+1/2, z+1/2'
_cell_length_a  14.790(14)
_cell_length_b  5.681(9)
_cell_length_c  11.187(11)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  940(2)
_cell_formula_units_Z  4
_cell_measurement_temperature  293
_exptl_crystal_density_diffrn  1.281
_diffrn_ambient_temperature  293
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
  N  .3763(2)  .4268(7)  .0485(3)  .0836(9) Uani d . 1 . . N
  H1N  .341(3)  .529(9)  .101(5)  .119(16) Uiso d . 1 . . H
  H2N  .347(3)  .348(8)  -.005(4)  .100(16) Uiso d . 1 . . H
  C1  .48630(18)  .1156(6)  .0491(3)  .0636(8) Uani d . 1 . . C
  H1  .4643  .0589  -.0232  .074(10) Uiso calc R 1 . . H
  C2  .44602(17)  .3086(6)  .1026(3)  .0650(8) Uani d . 1 . . C
  C3  .4799(2)  .3882(6)  .2121(3)  .0687(8) Uani d . 1 . . C
  H3  .4525  .5159  .2494  .076(10) Uiso calc R 1 . . H
  C4  .55252(19)  .2823(6)  .2655(3)  .0653(8) Uani d . 1 . . C
  H4  .5745  .3391  .3379  .070(9) Uiso calc R 1 . . H
  C5  .72689(19)  -.0385(7)  .3438(3)  .0683(8) Uani d . 1 . . C
  H5  .7199  .0808  .4000  .069(10) Uiso calc R 1 . . H
  C6  .79407(19)  -.2008(7)  .3569(3)  .0725(9) Uani d . 1 . . C
  H6  .8333  -.1905  .4216  .096(13) Uiso calc R 1 . . H
  C7  .8042(2)  -.3789(7)  .2756(3)  .0750(9) Uani d . 1 . . C
  H7  .8493  -.4911  .2862  .068(9) Uiso calc R 1 . . H
  C8  .7471(2)  -.3920(6)  .1770(3)  .0710(9) Uani d . 1 . . C
  H8  .7544  -.5117  .1210  .083(10) Uiso calc R 1 . . H
  C9  .6116(2)  -.2014(6)  .0637(2)  .0638(8) Uani d . 1 . . C
  H9A  .6408  -.1736  -.0127  .057(8) Uiso calc R 1 . . H
  H9B  .5734  -.3398  .0574  .087(11) Uiso calc R 1 . . H
  C10  .55830(16)  .0084(6)  .1025(3)  .0578(7) Uani d . 1 . . C
  C11  .59276(17)  .0918(5)  .2120(2)  .0572(7) Uani d . 1 . . C
  C12  .66916(17)  -.0516(6)  .2468(3)  .0581(7) Uani d . 1 . . C
  C13  .68059(18)  -.2291(6)  .1627(2)  .0596(7) Uani d . 1 . . C
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
  N  .0764(17)  .094(2)  .081(2)  .0064(18)  -.0077(17)  .000(2)
  C1  .0626(15)  .077(2)  .0507(16)  -.0122(15)  .0037(13)  -.0035(16)
  C2  .0570(14)  .078(2)  .0600(17)  -.0085(15)  .0058(13)  .0076(18)
  C3  .0707(17)  .0733(19)  .0621(18)  -.0007(16)  .0121(15)  -.0057(16)
  C4  .0687(15)  .076(2)  .0509(15)  -.0052(16)  .0079(13)  -.0111(17)
  C5  .0687(15)  .084(2)  .0521(16)  -.0057(17)  .0026(14)  -.0090(17)
  C6  .0672(16)  .095(2)  .0556(17)  -.0024(18)  .0013(14)  .001(2)
  C7  .0764(18)  .088(2)  .061(2)  .0120(19)  .0095(15)  .0066(19)
  C8  .0839(18)  .076(2)  .0528(18)  .0040(19)  .0139(13)  -.0015(17)
  C9  .0773(18)  .0687(19)  .0453(14)  -.0061(17)  .0051(12)  -.0077(15)
  C10  .0577(12)  .0696(17)  .0460(14)  -.0125(14)  .0102(12)  -.0004(14)
  C11  .0589(13)  .0695(19)  .0430(13)  -.0113(14)  .0086(11)  -.0045(14)
  C12  .0586(13)  .0715(18)  .0441(14)  -.0103(14)  .0098(11)  -.0029(14)
  C13  .0648(14)  .0683(18)  .0456(13)  -.0118(15)  .0098(11)  -.0003(15)
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
  N C2 . 1.372(4) ?
  N H1N .  .97(5) ?
  N H2N .  .86(4) ?
  C1 C10 . 1.364(4) ?
  C1 C2 . 1.384(4) ?
  C1 H1 .  .9300 ?
  C2 C3 . 1.398(5) ?
  C3 C4 . 1.369(5) ?
  C3 H3 .  .9300 ?
  C4 C11 . 1.373(4) ?
  C4 H4 .  .9300 ?
  C5 C6 . 1.364(5) ?
  C5 C12 . 1.383(4) ?
  C5 H5 .  .9300 ?
  C6 C7 . 1.368(5) ?
  C6 H6 .  .9300 ?
  C7 C8 . 1.391(5) ?
  C7 H7 .  .9300 ?
  C8 C13 . 1.360(5) ?
  C8 H8 .  .9300 ?
  C9 C10 . 1.494(4) ?
  C9 C13 . 1.514(4) ?
  C9 H9A .  .9700 ?
  C9 H9B .  .9700 ?
  C10 C11 . 1.409(4) ?
  C11 C12 . 1.446(4) ?
  C12 C13 . 1.390(4) ?