#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/01/17/2011791.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_2011791
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2001
_journal_volume  57
_journal_page_first  295
_journal_page_last  297
_publ_section_title
;
4-(Phenyldiazenyl)naphthalen-1-amine and its hydrochloride
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/c'
loop_
_publ_author_name
  'Yatsenko, A. V.'
  'Chernyshev, V. V.'
  'Paseshnichenko, K. A.'
  'Schenk, H.'
_chemical_formula_moiety  'C16 H14 N3 + , Cl -'
_chemical_formula_sum            'C16 H14 Cl N3'
_[local]_cod_chemical_formula_sum_orig 'C16 H14 Cl1 N3'
_chemical_formula_weight  283.76
_symmetry_cell_setting  'monoclinic'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, -z'
  '-x, 1/2+y, 1/2-z'
  'x, 1/2-y, 1/2+z'
_cell_length_a  7.426(3)
_cell_length_b  13.305(4)
_cell_length_c  14.027(4)
_cell_angle_alpha  90
_cell_angle_beta  95.32(2)
_cell_angle_gamma  90
_cell_volume  1380.0(10)
_cell_formula_units_Z  4
_cell_measurement_temperature  295(2)
_exptl_crystal_density_diffrn  1.366
_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_thermal_displace_type
_atom_site_occupancy
_atom_site_type_symbol
  Cl1 .3811(9) .5299(3) .8182(3) .074(2) Uiso 1 Cl
  N1 .4054(12) .1384(7) .4964(8) .063(2) Uiso 1 N
  N2 .2439(15) .5384(9) .5196(8) .063(2) Uiso 1 N
  N3 .2760(15) .5956(9) .5977(7) .063(2) Uiso 1 N
  C1 .3643(13) .2355(9) .4987(9) .063(2) Uiso 1 C
  C2 .4113(14) .2870(8) .5875(8) .063(2) Uiso 1 C
  C3 .3731(14) .3865(9) .5961(8) .063(2) Uiso 1 C
  C4 .2856(11) .4439(5) .5191(9) .063(2) Uiso 1 C
  C5 .1450(15) .4436(8) .3467(9) .063(2) Uiso 1 C
  C6 .1001(14) .3913(9) .2627(8) .063(2) Uiso 1 C
  C7 .1409(12) .2894(9) .2549(8) .063(2) Uiso 1 C
  C8 .2274(17) .2371(8) .3316(9) .063(2) Uiso 1 C
  C9 .2744(15) .2891(8) .4183(7) .063(2) Uiso 1 C
  C10 .2342(18) .3928(9) .4268(8) .063(2) Uiso 1 C
  C11 .2413(18) .6960(8) .5910(9) .063(2) Uiso 1 C
  C12 .1678(19) .7394(9) .5069(9) .063(2) Uiso 1 C
  C13 .1325(16) .8416(8) .5044(8) .063(2) Uiso 1 C
  C14 .1703(15) .9008(8) .5864(9) .063(2) Uiso 1 C
  C15 .2454(15) .8596(6) .6702(8) .063(2) Uiso 1 C
  C16 .2817(19) .7541(9) .6733(9) .063(2) Uiso 1 C
  H10 .3796 .0917 .4389 .05 Uiso 1 H
  H11 .4699 .1059 .5585 .05 Uiso 1 H
  H22 .4783 .2442 .6462 .05 Uiso 1 H
  H23 .4135 .4227 .6659 .05 Uiso 1 H
  H24 .2547 .1583 .3225 .05 Uiso 1 H
  H25 .1057 .2473 .1885 .05 Uiso 1 H
  H26 .0331 .4323 .2014 .05 Uiso 1 H
  H27 .1148 .5222 .3532 .05 Uiso 1 H
  H28 .3367 .7186 .7388 .05 Uiso 1 H
  H29 .2788 .9035 .7347 .05 Uiso 1 H
  H30 .1426 .9821 .5821 .05 Uiso 1 H
  H31 .0753 .8766 .4381 .05 Uiso 1 H
  H32 .1358 .6931 .4425 .05 Uiso 1 H
  H33 .3294 .5646 .6617 .05 Uiso 1 H
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 . 1.329(15) no
  N1 H10 . 1.022 no
  N1 H11 . 1.048 no
  N2 N3 . 1.337(16) no
  N2 C4 . 1.295(14) no
  N3 C11 . 1.362(16) no
  N3 H33 . 1.034 no
  C1 C2 . 1.436(16) no
  C1 C9 . 1.445(15) no
  C2 C3 . 1.362(16) no
  C2 H22 . 1.083 no
  C3 C4 . 1.429(15) no
  C3 H23 . 1.107 no
  C4 C10 . 1.481(16) no
  C5 C6 . 1.383(16) no
  C5 C10 . 1.422(16) no
  C5 H27 . 1.076 no
  C6 C7 . 1.396(17) no
  C6 H26 . 1.098 no
  C7 C8 . 1.388(16) no
  C7 H25 . 1.098 no
  C8 C9 . 1.415(16) no
  C8 H24 . 1.078 no
  C9 C10 . 1.419(16) no
  C11 C12 . 1.380(17) no
  C11 C16 . 1.399(17) no
  C12 C13 . 1.385(16) no
  C12 H32 . 1.101 no
  C13 C14 . 1.401(16) no
  C13 H31 . 1.090 no
  C14 C15 . 1.368(16) no
  C14 H30 . 1.102 no
  C15 C16 . 1.430(15) no
  C15 H29 . 1.086 no
  C16 H28 . 1.079 no
_cod_database_code 2011791