#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2010473.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_2010473
_journal_name_full  'Acta Crystallographica'
_journal_year  1995
_journal_volume  C51
_journal_page_first  311
_journal_page_last  313
_publ_section_title
;
2-Methoxy-5-(4-nitrostyryl)phenol
;
loop_
_publ_author_name
  'Li, Z.'
  'Su, G.'
_chemical_formula_sum  'C15 H13 N1 O4'
_chemical_formula_weight  271.27
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'
_cell_length_a  6.281(4)
_cell_length_b  7.613(5)
_cell_length_c  27.78(2)
_cell_angle_alpha  90
_cell_angle_beta  92.45(6)
_cell_angle_gamma  90
_cell_volume  1327(2)
_cell_formula_units_Z  4
_cell_measurement_temperature  296
_exptl_crystal_density_diffrn  1.36
_refine_ls_R_factor_obs  0.066
_refine_ls_wR_factor_obs  0.077
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
  O(1) .4339(4) .1888(4) .06046(7)
  O(2) .0689(4) .3427(4) .07641(8)
  O(3) -.3019(5) .1297(6) .47840(10)
  O(4) -.5811(7) .2623(6) .45100(10)
  N(1) -.4108(7) .1924(6) .44530(10)
  C(1) .0941(6) .1383(6) .24350(10)
  C(2) -.0959(6) .1828(6) .25620(10)
  C(11) .1823(5) .1573(3) .19560(10)
  C(12) .3784(6) .0801(6) .18780(10)
  C(13) .4682(5) .0856(6) .14350(10)
  C(14) .3670(5) .1707(5) .10590(10)
  C(15) .1705(5) .2537(5) .11310(10)
  C(16) .0796(5) .2460(5) .15720(10)
  C(17) .6302(7) .1104(8) .04930(10)
  C(21) -.1773(5) .1726(5) .30540(10)
  C(22) -.0643(6) .0984(6) .34400(10)
  C(23) -.1378(6) .1002(6) .38990(10)
  C(24) -.3329(6) .1804(5) .39700(10)
  C(25) -.4523(5) .2518(6) .35920(10)
  C(26) -.3729(6) .2462(6) .31410(10)
  H(1) .1344 .3211 .0484
  H(2) .2092 .1043 .2786
  H(3) -.2144 .2302 .2280
  H(4) .4474 .0205 .2151
  H(5) .5979 .0199 .1409
  H(6) -.0474 .3049 .1614
  H(7) .6210 -.0132 .0537
  H(8) .6589 .1346 .0166
  H(9) .7407 .1566 .0697
  H(10) .0514 .0306 .3379
  H(11) -.0869 .0561 .4174
  H(12) -.6079 .3143 .3631
  H(13) -.4527 .2984 .2870
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
  O(1) C(14) 1.354(4) yes
  O(1) C(17) 1.416(5) yes
  O(2) C(15) 1.360(4) yes
  O(3) N(1) 1.221(5) yes
  O(4) N(1) 1.212(5) yes
  N(1) C(24) 1.449(4) yes
  C(1) C(2) 1.304(5) yes
  C(1) C(11) 1.470(4) yes
  C(2) C(21) 1.481(5) yes
  C(11) C(12) 1.390(5) yes
  C(11) C(16) 1.396(5) yes
  C(12) C(13) 1.375(5) yes
  C(13) C(14) 1.365(5) yes
  C(14) C(15) 1.409(5) yes
  C(15) C(16) 1.376(4) yes
  C(21) C(26) 1.381(5) yes
  C(21) C(22) 1.388(5) yes
  C(22) C(23) 1.375(5) yes
  C(23) C(24) 1.391(5) yes
  C(24) C(25) 1.376(5) yes
  C(25) C(26) 1.370(5) yes