#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/04/2000476.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_2000476
loop_
_publ_author_name
'Orr, Jnr, L. B.'
'Parsons, E. J.'
'Pennington, W. T.'
_publ_section_title
;
 2-{[(o-Hydroxyphenyl)imino]methyl}pyridine
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2042
_journal_page_last               2043
_journal_paper_doi               10.1107/S0108270192001483
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C12 H10 N2 O'
_chemical_formula_weight         198.22
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.722(2)
_cell_length_b                   12.284(5)
_cell_length_c                   17.638(11)
_cell_volume                     1023.1(9)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.08
_exptl_crystal_density_diffrn    1.29
_exptl_crystal_F_000             416
_cod_data_source_file            st0559.cif
_cod_data_source_block           st0559a
_cod_original_cell_volume        1023.0(9)
_cod_original_formula_sum        'C12 H10 N2 O1'
_cod_database_code               2000476
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
O(1) .2961(9) .3207(4) -.0162(2) .070(2)
N(1) .0553(9) .4228(3) .1020(2) .046(2)
N(2) -.4096(10) .4664(4) .2563(3) .058(2)
C(1) .3789(11) .4256(5) -.0006(3) .049(2)
C(2) .5799(13) .4750(6) -.0469(3) .064(3)
C(3) .6653(13) .5798(6) -.0327(3) .062(2)
C(4) .5501(14) .6355(6) .0270(3) .060(2)
C(5) .3477(13) .5882(5) .0725(3) .057(2)
C(6) .2579(12) .4822(4) .0596(3) .043(2)
C(7) -.0765(12) .4665(5) .1564(3) .048(2)
C(8) -.2873(11) .4058(5) .2018(3) .048(2)
C(9) -.3534(14) .2981(5) .1889(4) .060(2)
C(10) -.5524(16) .2481(7) .2353(4) .071(3)
C(11) -.6804(15) .3106(7) .2910(4) .075(3)
C(12) -.6059(15) .4149(8) .2989(3) .073(3)
H(1) .146(17) .309(6) .022(4) ?
H(2) .649(12) .439(4) -.084(3) ?
H(3) .796(13) .619(4) -.069(3) ?
H(4) .600(13) .716(5) .034(3) ?
H(5) .286(16) .628(5) .112(3) ?
H(6) -.063(11) .550(4) .171(3) ?
H(7) -.259(14) .258(5) .144(3) ?
H(8) -.681(14) .459(4) .337(4) ?
H(9) -.810(17) .272(6) .323(4) ?
H(10) -.614(14) .178(6) .228(3) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
O(1) C(1) 1.374(7)
N(1) C(7) 1.263(7)
N(2) C(12) 1.350(9)
C(1) C(6) 1.391(7)
C(3) C(4) 1.369(9)
C(5) C(6) 1.388(8)
C(8) C(9) 1.378(8)
C(10) C(11) 1.386(11)
N(1) C(6) 1.417(7)
N(2) C(8) 1.345(7)
C(1) C(2) 1.391(8)
C(2) C(3) 1.372(11)
C(4) C(5) 1.377(9)
C(7) C(8) 1.479(8)
C(9) C(10) 1.390(10)
C(11) C(12) 1.336(13)
O(1) H(1) 1.00(8)
C(3) H(3) 1.01(5)
C(5) H(5) 0.90(6)
C(9) H(7) 1.03(6)
C(11) H(9) 0.95(7)
C(2) H(2) 0.86(6)
C(4) H(4) 1.03(6)
C(7) H(6) 1.06(5)
C(10) H(10) 0.92(7)
C(12) H(8) 0.93(6)
