#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005080.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_2005080
_journal_name_full  'Acta Crystallographica'
_journal_year      1996
_journal_volume    'C52'
_journal_page_first     1745
_journal_page_last     1747
_publ_section_title
;
1:1 Complex Formed by 2-Picoline N-Oxide and 4-Nitrophenol
;
_chemical_formula_moiety     'C6 H7 N O, C6 H5 N O3'
_chemical_formula_sum     'C12 H12 N2 O4'
_chemical_formula_weight     248.24
_symmetry_cell_setting    'monoclinic'
_symmetry_space_group_name_H-M     'P 21/c'
_cell_length_a     10.9215(10)
_cell_length_b     9.540(2)
_cell_length_c     11.9604(10)
_cell_angle_alpha     90.00
_cell_angle_beta     107.200(10)
_cell_angle_gamma     90.00
_cell_volume     1190.5(3)
_cell_formula_units_Z     4
_exptl_crystal_density_diffrn     1.385
_cell_measurement_temperature     295
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
C1 1  .6353(2)  .0895(3)  .4720(2)  .0459(6)
C2 1  .5535(2)  .1932(3)  .4823(2)  .0526(7)
H2 1  .5681  .2429  .5519  .076
C3 1  .4483(2)  .2233(3)  .3875(2)  .0529(7)
H3 1  .3908  .2929  .3931  .076
C4 1  .4294(2)  .1489(3)  .2843(2)  .0482(7)
C5 1  .5138(2)  .0455(3)  .2753(2)  .0530(7)
H5 1  .5009 -0.0031  .2053  .076
C6 1  .6181(2)  .0138(3)  .3708(2)  .0521(7)
H6 1  .6750 -0.0570  .3664  .076
O1 1  .8164(2)  -.0406(2)  .5638(2)  .0880(7)
O2 1  .7664(2)  .1316(3)  .6586(2)  .0872(8)
O3 1  .3250(2)  .1825(2)  .1930(2)  .0664(6)
N1 1  .7474(2)  .0574(3)  .5724(2)  .0613(7)
H3O 1  .322(2)    .110(3)    .124(2)    .076
C7 1  .1904(2) -0.1475(3)  .0759(2)  .0548(7)
H7 1  .2575 -0.1533  .1450  .076
C8 1  .0862(3) -0.2315(3)  .0614(2)  .0599(8)
H8 1  .0814 -0.2933  .1201  .076
C9 1  -.0133(2) -0.2235(3)  -.0428(2)  .0595(8)
H9 1 -0.0855 -0.2799 -0.0550  .076
C10 1  -.0027(2) -0.1320(3) -0.1258(2)  .0511(7)
H10 1 -0.0691 -0.1260 -0.1954  .076
C11 1  .1026(2)  -.0477(3) -0.1109(2)  .0444(6)
C12 1  .1219(2)  .0537(3) -0.1966(2)  .0627(8)
H121 1  .0357  .0484 -0.2697  .076
H122 1  .2032  .0233 -0.2252  .076
H123 1  .1354  .1595 -0.1632  .076
O4 1  .2997(2)  .0255(2)  .01009(15)  .0652(6)
N2 1  .1983(2)  -.0571(2)  -.0068(2)  .0456(5)