#------------------------------------------------------------------------------
#$Date: 2018-06-14 04:32:00 +0300 (Thu, 14 Jun 2018) $
#$Revision: 208360 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/11/2001104.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2001104
loop_
_publ_author_name
'Pyrka, G. J.'
'Pinkerton, A. A.'
_publ_section_title
;
 Structure of the high-temperature-melting polymorph of
 2,2'-dipyridylamine
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              91
_journal_page_last               94
_journal_paper_doi               10.1107/S0108270191007163
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C10 H9 N3'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                92.93(2)
_cell_angle_beta                 93.01(2)
_cell_angle_gamma                107.5(2)
_cell_formula_units_Z            4
_cell_length_a                   8.229(2)
_cell_length_b                   10.654(3)
_cell_length_c                   10.668(2)
_cell_volume                     888.6(11)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.08
_exptl_crystal_density_diffrn    1.28
_exptl_crystal_F_000             360
_cod_data_source_file            cr0297.cif
_cod_data_source_block           cr0297a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14
;
_cod_original_cell_volume        888.6
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               2001104
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1A .8421(2) .3429(2) .0797(2)
N2A .5826(2) .2742(2) .1597(2)
N3A .4456(2) .0814(2) .2548(2)
C1A .9669(3) .3198(2) .0166(2)
C2A .9706(3) .1970(2) -.0222(3)
C3A .8400(3) .0911(2) .0074(2)
C4A .7102(3) .1099(2) .0735(2)
C5A .7131(3) .2391(2) .1062(2)
C6A .4438(3) .1982(2) .2165(2)
C7A .3102(3) .2484(2) .2373(3)
C8A .1773(3) .1774(3) .3003(3)
C9A .1781(4) .0579(3) .3392(3)
C10A .3119(3) .0142(2) .3140(3)
H1A 1.055(2) .397(2) -.001(2)
H2A 1.063(2) .187(2) -.064(2)
H3A .846(2) .002(2) -.021(2)
H4A .620(2) .041(2) .101(2)
H5A .588(2) .358(2) .154(2)
H6A .323(3) .335(2) .208(2)
H7A .084(3) .214(2) .308(2)
H8A .092(3) .010(2) .375(2)
H9A .310(3) -.075(2) .341(2)
N1B .6262(2) .5721(2) .1702(2)
N2B .8755(2) .5768(2) .2745(2)
N3B 1.0567(2) .7111(2) .4375(2)
C1B .5057(3) .6284(2) .1395(2)
C2B .5019(3) .7467(2) .1908(3)
C3B .6271(3) .8108(2) .2818(3)
C4B .7529(3) .7579(2) .3166(2)
C5B .7508(3) .6385(2) .2562(2)
C6B 1.0209(3) .6081(2) .3540(2)
C7B 1.1254(3) .5267(2) .3437(2)
C8B 1.2702(3) .5532(3) .4206(3)
C9B 1.3101(3) .6596(3) .5069(3)
C10B 1.2030(3) .7332(3) .5122(2)
H1B .841(2) .798(2) .388(2)
H2B .625(3) .890(2) .335(2)
H3B .418(2) .775(2) .166(2)
H4B .417(2) .579(2) .083(2)
H5B .862(2) .510(2) .218(2)
H6B 1.086(2) .448(2) .281(2)
H7B 1.355(4) .492(3) .414(3)
H8B 1.400(3) .680(2) .563(2)
H9B 1.214(2) .803(2) .568(2)
